(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine

C13H14ClNS — CID 102841186

IUPAC(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine
SMILESCc1cccc(C(N)c2ccsc2C)c1Cl
InChIInChI=1S/C13H14ClNS/c1-8-4-3-5-11(12(8)14)13(15)10-6-7-16-9(10)2/h3-7,13H,15H2,1-2H3
InChIKeyKMWSGDVLBCRUGT-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.07
Rot. Bonds2

About (2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine

(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine (PubChem CID 102841186) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is (2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine
PubChem CID102841186
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine
SMILESCc1cccc(C(N)c2ccsc2C)c1Cl
InChIInChI=1S/C13H14ClNS/c1-8-4-3-5-11(12(8)14)13(15)10-6-7-16-9(10)2/h3-7,13H,15H2,1-2H3
InChIKeyKMWSGDVLBCRUGT-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine 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

N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842157
(3-bromo-2-methylphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102840617
(3-chlorothiophen-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102841415
(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
CID 106648243
(2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018279
(1R)-1-(2-methylthiophen-3-yl)ethanamine
CID 46839608
(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol
CID 130826820
(2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883863
[(2-chloro-3-methylphenyl)-thiophen-2-ylmethyl]hydrazine
CID 105287597
(2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102842057
(2-chloro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 115808803
(3-chloro-2-methylphenyl)-(2-methylthiophen-3-yl)methanol
CID 107103539

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of (2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine (CID 102841186) is (2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for (2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine is Cc1cccc(C(N)c2ccsc2C)c1Cl.
What is the InChIKey of (2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine?
The InChIKey is KMWSGDVLBCRUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-8-4-3-5-11(12(8)14)13(15)10-6-7-16-9(10)2/h3-7,13H,15H2,1-2H3.
What are the key properties of (2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine?
(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine has a molecular weight of 251.78 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102841186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).