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

C13H13ClN2 — CID 43689842

IUPAC2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine
SMILESCc1cccc(CNc2cccnc2Cl)c1
InChIInChI=1S/C13H13ClN2/c1-10-4-2-5-11(8-10)9-16-12-6-3-7-15-13(12)14/h2-8,16H,9H2,1H3
InChIKeyWTEACDGYMZKSSY-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.66
Rot. Bonds3

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

2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine (PubChem CID 43689842) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine
PubChem CID43689842
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine
SMILESCc1cccc(CNc2cccnc2Cl)c1
InChIInChI=1S/C13H13ClN2/c1-10-4-2-5-11(8-10)9-16-12-6-3-7-15-13(12)14/h2-8,16H,9H2,1H3
InChIKeyWTEACDGYMZKSSY-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.66
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-ethoxy-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43706224
2-chloro-N-(furan-3-ylmethyl)pyridin-3-amine
CID 63204400
5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 28553559
N-[(3-methylphenyl)methyl]naphthalen-1-amine
CID 23820233
5-[[(2-chloro-3-pyridinyl)amino]methyl]-2-methoxybenzonitrile
CID 65340847
2-[(3-methylphenyl)methylamino]pyridine-3-carbothioamide
CID 54944427
4-chloro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 113315630
2-chloro-3-[(3-methylphenyl)methylsulfanylmethyl]pyridine
CID 62770937
2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine
CID 43782434
2-chloro-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
CID 43782408
3-[[(2-chloro-5-methyl-3-pyridinyl)amino]methyl]phenol
CID 114050770
2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyridin-3-amine
CID 63271337

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine (CID 43689842) is 2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine is Cc1cccc(CNc2cccnc2Cl)c1.
What is the InChIKey of 2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine?
The InChIKey is WTEACDGYMZKSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-10-4-2-5-11(8-10)9-16-12-6-3-7-15-13(12)14/h2-8,16H,9H2,1H3.
What are the key properties of 2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine?
2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine has a molecular weight of 232.71 g/mol, XLogP of 3.66, 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-methylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 43689842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).