2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine

C15H17ClN2 — CID 65489501

IUPAC2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine
SMILESCc1ccc(CNc2c(C)ccnc2Cl)cc1C
InChIInChI=1S/C15H17ClN2/c1-10-4-5-13(8-12(10)3)9-18-14-11(2)6-7-17-15(14)16/h4-8,18H,9H2,1-3H3
InChIKeyOYADBLPGBCAVRS-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.27
Rot. Bonds3

About 2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine

2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine (PubChem CID 65489501) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine
PubChem CID65489501
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine
SMILESCc1ccc(CNc2c(C)ccnc2Cl)cc1C
InChIInChI=1S/C15H17ClN2/c1-10-4-5-13(8-12(10)3)9-18-14-11(2)6-7-17-15(14)16/h4-8,18H,9H2,1-3H3
InChIKeyOYADBLPGBCAVRS-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine
CID 65484321
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 65482959
N-[(4-tert-butylphenyl)methyl]-2-chloro-4-methylpyridin-3-amine
CID 65484317
2-chloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 65485316
2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 65485686
4-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]benzamide
CID 65483750
2,4,6-trichloro-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43773692
N-butyl-2-chloro-4-methylpyridin-3-amine
CID 65483347
2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyridin-3-amine
CID 65483729
2-chloro-N-(2,2-dimethylpropyl)-4-methylpyridin-3-amine
CID 65483153
2-chloro-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 81311469
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-methylpyridin-3-amine
CID 65485112

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine (CID 65489501) is 2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine is Cc1ccc(CNc2c(C)ccnc2Cl)cc1C.
What is the InChIKey of 2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine?
The InChIKey is OYADBLPGBCAVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-10-4-5-13(8-12(10)3)9-18-14-11(2)6-7-17-15(14)16/h4-8,18H,9H2,1-3H3.
What are the key properties of 2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine?
2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine has a molecular weight of 260.77 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 65489501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).