3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine

C14H15ClN2 — CID 70610909

IUPAC3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(CNc2ncc(C)cc2Cl)cc1
InChIInChI=1S/C14H15ClN2/c1-10-3-5-12(6-4-10)9-17-14-13(15)7-11(2)8-16-14/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyXJKUSJAGAFTWTP-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.96
Rot. Bonds3

About 3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine

3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine (PubChem CID 70610909) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
PubChem CID70610909
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(CNc2ncc(C)cc2Cl)cc1
InChIInChI=1S/C14H15ClN2/c1-10-3-5-12(6-4-10)9-17-14-13(15)7-11(2)8-16-14/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyXJKUSJAGAFTWTP-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 79632690
5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine
CID 106900156
N-[(4-aminophenyl)methyl]-5-bromo-3-chloropyridin-2-amine
CID 103582888
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
2-chloro-N-[(4-chlorophenyl)methyl]-5-methylpyridin-3-amine
CID 114050809
5-bromo-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
CID 63873584
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid
CID 62990731
N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 60876439
5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine
CID 66281298
(1S)-1-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]ethanol
CID 97020715

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine (CID 70610909) is 3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine is Cc1ccc(CNc2ncc(C)cc2Cl)cc1.
What is the InChIKey of 3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is XJKUSJAGAFTWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-10-3-5-12(6-4-10)9-17-14-13(15)7-11(2)8-16-14/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine?
3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 246.74 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 70610909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).