2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine

C13H13ClN2 — CID 102824160

IUPAC2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine
SMILESCc1ccc(N(C)c2ccnc(Cl)c2)cc1
InChIInChI=1S/C13H13ClN2/c1-10-3-5-11(6-4-10)16(2)12-7-8-15-13(14)9-12/h3-9H,1-2H3
InChIKeyNVFUBWGYXSTLGJ-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.81
Rot. Bonds2

About 2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine

2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine (PubChem CID 102824160) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine
PubChem CID102824160
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine
SMILESCc1ccc(N(C)c2ccnc(Cl)c2)cc1
InChIInChI=1S/C13H13ClN2/c1-10-3-5-11(6-4-10)16(2)12-7-8-15-13(14)9-12/h3-9H,1-2H3
InChIKeyNVFUBWGYXSTLGJ-UHFFFAOYSA-N
XLogP3.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189
N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline
CID 23597856
N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine
CID 103757162
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
CID 103756761
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol
CID 103873023
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 102824052
2-chloro-N-methyl-N-(2-methylbutyl)pyridin-4-amine
CID 103756833
N-[4-[dimethyl-(4-methylphenyl)silyl]phenyl]-N,4-dimethylaniline
CID 23593172
2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 102824202
N-tert-butyl-2-chloro-N-ethylpyridin-4-amine
CID 130921684

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine (CID 102824160) is 2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine is Cc1ccc(N(C)c2ccnc(Cl)c2)cc1.
What is the InChIKey of 2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine?
The InChIKey is NVFUBWGYXSTLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-10-3-5-11(6-4-10)16(2)12-7-8-15-13(14)9-12/h3-9H,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine?
2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine has a molecular weight of 232.71 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(4-methylphenyl)pyridin-4-amine is sourced from PubChem (CID 102824160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).