4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline

C14H14ClNOS — CID 154720399

IUPAC4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline
SMILESCOc1cccc(SC)c1-c1cc(Cl)ccc1N
InChIInChI=1S/C14H14ClNOS/c1-17-12-4-3-5-13(18-2)14(12)10-8-9(15)6-7-11(10)16/h3-8H,16H2,1-2H3
InChIKeyZWHFPZSKOAMKKB-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.32
Rot. Bonds3

About 4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline

4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline (PubChem CID 154720399) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline
PubChem CID154720399
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline
SMILESCOc1cccc(SC)c1-c1cc(Cl)ccc1N
InChIInChI=1S/C14H14ClNOS/c1-17-12-4-3-5-13(18-2)14(12)10-8-9(15)6-7-11(10)16/h3-8H,16H2,1-2H3
InChIKeyZWHFPZSKOAMKKB-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline 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

(S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol
CID 129395304
4-chloro-2-methylsulfanylaniline;hydrochloride
CID 122360132
4-chloro-2-(4-methoxy-1,3-benzoxazol-2-yl)aniline
CID 114765012
2,4-dichloro-1-(2-fluoro-6-methoxyphenyl)benzene
CID 69117451
(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 90097176
5-chloro-2-(2,3-dimethoxyphenyl)aniline
CID 82794309
5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline
CID 105224204
2-(3-bromo-2,4-dimethoxyphenyl)-4-chloroaniline
CID 103523654
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
4-chloro-2-(2,3,5,6-tetrachlorophenyl)aniline
CID 81275413
2-fluoro-1-methoxy-3-methylsulfanylbenzene
CID 91881055
4-chloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]aniline
CID 79527710

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline?
The IUPAC name of 4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline (CID 154720399) is 4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline.
What is the SMILES notation for 4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline?
The canonical SMILES for 4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline is COc1cccc(SC)c1-c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline?
The InChIKey is ZWHFPZSKOAMKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-17-12-4-3-5-13(18-2)14(12)10-8-9(15)6-7-11(10)16/h3-8H,16H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline?
4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline has a molecular weight of 279.79 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxy-6-methylsulfanylphenyl)aniline is sourced from PubChem (CID 154720399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).