2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline

C14H15ClN2 — CID 114075281

IUPAC2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
SMILESCc1ccncc1CNc1cccc(C)c1Cl
InChIInChI=1S/C14H15ClN2/c1-10-6-7-16-8-12(10)9-17-13-5-3-4-11(2)14(13)15/h3-8,17H,9H2,1-2H3
InChIKeyIKGKDHWACLFBPJ-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.96
Rot. Bonds3

About 2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline

2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline (PubChem CID 114075281) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
PubChem CID114075281
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
SMILESCc1ccncc1CNc1cccc(C)c1Cl
InChIInChI=1S/C14H15ClN2/c1-10-6-7-16-8-12(10)9-17-13-5-3-4-11(2)14(13)15/h3-8,17H,9H2,1-2H3
InChIKeyIKGKDHWACLFBPJ-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

N-[(2,3-dichlorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329830
2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline
CID 114251746
3-[(2-methylanilino)methyl]pyridin-4-amine
CID 105466959
N-[(2-aminophenyl)methyl]-2-chloro-3-methylaniline
CID 114251754
5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956528
2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 114956651
2-bromo-6-[(4-methyl-3-pyridinyl)methylamino]benzonitrile
CID 114956144
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
2-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylaniline
CID 114251709
2-chloro-3-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 113344595
4-chloro-3-methyl-2-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 112740911
N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 91611248

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline?
The IUPAC name of 2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline (CID 114075281) is 2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline?
The canonical SMILES for 2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline is Cc1ccncc1CNc1cccc(C)c1Cl.
What is the InChIKey of 2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline?
The InChIKey is IKGKDHWACLFBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-10-6-7-16-8-12(10)9-17-13-5-3-4-11(2)14(13)15/h3-8,17H,9H2,1-2H3.
What are the key properties of 2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline?
2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline 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 2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 114075281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).