N-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine

C13H13ClN2 — CID 65027662

IUPACN-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine
SMILESCc1cccc(Nc2ccccc2CCl)n1
InChIInChI=1S/C13H13ClN2/c1-10-5-4-8-13(15-10)16-12-7-3-2-6-11(12)9-14/h2-8H,9H2,1H3,(H,15,16)
InChIKeyQMIKHLIZUYYSOH-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.87
Rot. Bonds3

About N-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine

N-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine (PubChem CID 65027662) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine
PubChem CID65027662
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC NameN-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine
SMILESCc1cccc(Nc2ccccc2CCl)n1
InChIInChI=1S/C13H13ClN2/c1-10-5-4-8-13(15-10)16-12-7-3-2-6-11(12)9-14/h2-8H,9H2,1H3,(H,15,16)
InChIKeyQMIKHLIZUYYSOH-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-6-methylpyridin-2-amine
CID 119089748
N-(2-fluorophenyl)-6-methylpyridin-2-amine
CID 142686342
6-chloro-N-(2-ethylphenyl)pyridin-2-amine
CID 63588591
N-[2-(chloromethyl)phenyl]quinoxalin-2-amine
CID 65027944
N-[2-(chloromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115373205
6-methyl-N-(2-nitrophenyl)pyridin-2-amine
CID 69251400
2-N-ethyl-6-N-(2-propylphenyl)pyridine-2,6-diamine
CID 80807820
N-iodo-6-methylpyridin-2-amine
CID 134375052
N-[2-(chloromethyl)phenyl]-6-propan-2-yloxypyrazin-2-amine
CID 65027390
6-fluoro-N-(2-propylphenyl)pyridin-2-amine
CID 54968645
N-[2-(chloromethyl)phenyl]-1-methylimidazol-2-amine
CID 65027388
6-N-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine
CID 80652415

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine (CID 65027662) is N-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine is Cc1cccc(Nc2ccccc2CCl)n1.
What is the InChIKey of N-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine?
The InChIKey is QMIKHLIZUYYSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-10-5-4-8-13(15-10)16-12-7-3-2-6-11(12)9-14/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of N-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine?
N-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine has a molecular weight of 232.71 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 65027662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).