2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine

C15H16ClNOS — CID 64621667

IUPAC2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CSc2ccccc2Cl)c1
InChIInChI=1S/C15H16ClNOS/c1-18-12-6-4-5-11(9-12)14(17)10-19-15-8-3-2-7-13(15)16/h2-9,14H,10,17H2,1H3
InChIKeyPWKWSSQYQXFYSD-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.14
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine

2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine (PubChem CID 64621667) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine
PubChem CID64621667
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)CSc2ccccc2Cl)c1
InChIInChI=1S/C15H16ClNOS/c1-18-12-6-4-5-11(9-12)14(17)10-19-15-8-3-2-7-13(15)16/h2-9,14H,10,17H2,1H3
InChIKeyPWKWSSQYQXFYSD-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64619722
1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650593
2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 65321564
(2-chlorophenyl)-(3-methoxyphenyl)methanamine;hydrochloride
CID 54595163
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
[2-(2,6-dichlorophenyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191602
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methoxyphenyl)ethanamine
CID 64628643
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(3-methoxyphenyl)ethanamine
CID 64647682
1-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64648152
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine
CID 107525144
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine (CID 64621667) is 2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(N)CSc2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine?
The InChIKey is PWKWSSQYQXFYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-18-12-6-4-5-11(9-12)14(17)10-19-15-8-3-2-7-13(15)16/h2-9,14H,10,17H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine?
2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine has a molecular weight of 293.82 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 64621667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).