1-(4-thiophen-2-ylphenyl)methanamine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.

Phenylmethylamines

Organic compounds

Benzenoids

Benzene and substituted derivatives

Phenylmethylamines

Calculated Property

kind Value Source
logP 2.53 ALOGPS
logS -3.3 ALOGPS
Water Solubility 8.82e-02 g/l ALOGPS
logP 2.52 ChemAxon
IUPAC Name [4-(thiophen-2-yl)phenyl]methanamine ChemAxon
Traditional IUPAC Name [4-(thiophen-2-yl)phenyl]methanamine ChemAxon
Molecular Weight 189.277 ChemAxon
Monoisotopic Weight 189.061220047 ChemAxon
SMILES NCC1=CC=C(C=C1)C1=CC=CS1 ChemAxon
Molecular Formula C11H11NS ChemAxon
InChI InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2 ChemAxon
InChIKey InChIKey=YKNLMMDEWQZCLJ-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 26.02 ChemAxon
Refractivity 56.56 ChemAxon
Polarizability 21.27 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 9.44 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Leukotriene A-4 hydrolase : in Human