2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline

C14H15ClN2 — CID 63265079

IUPAC2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline
SMILESCc1ccc(NCCc2cccnc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2/c1-11-4-5-14(13(15)9-11)17-8-6-12-3-2-7-16-10-12/h2-5,7,9-10,17H,6,8H2,1H3
InChIKeyQFEDYLRQZHTAJL-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.70
Rot. Bonds4

About 2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline

2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline (PubChem CID 63265079) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline
PubChem CID63265079
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline
SMILESCc1ccc(NCCc2cccnc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2/c1-11-4-5-14(13(15)9-11)17-8-6-12-3-2-7-16-10-12/h2-5,7,9-10,17H,6,8H2,1H3
InChIKeyQFEDYLRQZHTAJL-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)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

2-chloro-1-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
CID 55026530
3-chloro-4-(2-pyridin-3-ylethylamino)benzenecarbothioamide
CID 63089105
2-chloro-4-nitro-N-(2-pyridin-3-ylethyl)aniline
CID 31408601
3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline
CID 63265162
4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169012
3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid
CID 55107885
3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 60914274
2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline
CID 63265128
3-chloro-4-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 83107487
2-ethyl-N-(2-pyridin-3-ylethyl)aniline
CID 55169393
1-(2-chloro-4-methylphenyl)-4-pyridin-3-ylbutan-2-ol
CID 106868066
2-iodo-N-(2-pyridin-3-ylethyl)aniline
CID 63264504

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline?
The IUPAC name of 2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline (CID 63265079) is 2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline?
The canonical SMILES for 2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline is Cc1ccc(NCCc2cccnc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline?
The InChIKey is QFEDYLRQZHTAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-11-4-5-14(13(15)9-11)17-8-6-12-3-2-7-16-10-12/h2-5,7,9-10,17H,6,8H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline?
2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline has a molecular weight of 246.74 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 63265079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).