(2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine

C13H14ClNS — CID 106857827

IUPAC(2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine
SMILESCc1ccc(C(N)c2csc(C)c2)c(Cl)c1
InChIInChI=1S/C13H14ClNS/c1-8-3-4-11(12(14)5-8)13(15)10-6-9(2)16-7-10/h3-7,13H,15H2,1-2H3
InChIKeyNFQAKGMUAWWHGZ-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.07
Rot. Bonds2

About (2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine

(2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine (PubChem CID 106857827) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine
PubChem CID106857827
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name(2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine
SMILESCc1ccc(C(N)c2csc(C)c2)c(Cl)c1
InChIInChI=1S/C13H14ClNS/c1-8-3-4-11(12(14)5-8)13(15)10-6-9(2)16-7-10/h3-7,13H,15H2,1-2H3
InChIKeyNFQAKGMUAWWHGZ-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-4-methylphenyl)-(5-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

(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 104991668
(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106857421
(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
CID 106857071
(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
CID 106856981
(5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine
CID 65105067
(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
[(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313337
(2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine
CID 65104269
(4-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65105046
(4-bromothiophen-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 130993276
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106861118
(1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine
CID 55273772

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine?
The IUPAC name of (2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine (CID 106857827) is (2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine?
The canonical SMILES for (2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine is Cc1ccc(C(N)c2csc(C)c2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine?
The InChIKey is NFQAKGMUAWWHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-8-3-4-11(12(14)5-8)13(15)10-6-9(2)16-7-10/h3-7,13H,15H2,1-2H3.
What are the key properties of (2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine?
(2-chloro-4-methylphenyl)-(5-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-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 106857827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).