2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine

C15H17ClN2S — CID 65484915

IUPAC2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine
SMILESCSc1ccc(C(C)Nc2c(C)ccnc2Cl)cc1
InChIInChI=1S/C15H17ClN2S/c1-10-8-9-17-15(16)14(10)18-11(2)12-4-6-13(19-3)7-5-12/h4-9,11,18H,1-3H3
InChIKeyNDYNXRSDHCRSAR-UHFFFAOYSA-N
MW292.84 g/mol
LogP4.94
Rot. Bonds4

About 2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine

2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine (PubChem CID 65484915) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine
PubChem CID65484915
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine
SMILESCSc1ccc(C(C)Nc2c(C)ccnc2Cl)cc1
InChIInChI=1S/C15H17ClN2S/c1-10-8-9-17-15(16)14(10)18-11(2)12-4-6-13(19-3)7-5-12/h4-9,11,18H,1-3H3
InChIKeyNDYNXRSDHCRSAR-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine 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-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 65482956
2-chloro-N-[1-(4-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 65483339
4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 65482779
5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 65483753
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 65483939
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine
CID 65484697
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine
CID 65483337
N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline
CID 43192256
2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine
CID 114830017
N-[1-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43107996
2,3-dichloro-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43096870
2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine
CID 114871652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine (CID 65484915) is 2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine is CSc1ccc(C(C)Nc2c(C)ccnc2Cl)cc1.
What is the InChIKey of 2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine?
The InChIKey is NDYNXRSDHCRSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-10-8-9-17-15(16)14(10)18-11(2)12-4-6-13(19-3)7-5-12/h4-9,11,18H,1-3H3.
What are the key properties of 2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine?
2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine has a molecular weight of 292.84 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyridin-3-amine is sourced from PubChem (CID 65484915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).