N-[(4-chlorophenyl)methyl]-4-methylpyridin-2-amine

C13H13ClN2 — CID 975620

IUPACN-[(4-chlorophenyl)methyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H13ClN2/c1-10-6-7-15-13(8-10)16-9-11-2-4-12(14)5-3-11/h2-8H,9H2,1H3,(H,15,16)
InChIKeyNQBXTWUDCJPOEJ-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.66
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-4-methylpyridin-2-amine

N-[(4-chlorophenyl)methyl]-4-methylpyridin-2-amine (PubChem CID 975620) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-methylpyridin-2-amine
PubChem CID975620
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC NameN-[(4-chlorophenyl)methyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H13ClN2/c1-10-6-7-15-13(8-10)16-9-11-2-4-12(14)5-3-11/h2-8H,9H2,1H3,(H,15,16)
InChIKeyNQBXTWUDCJPOEJ-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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-methylpyridin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-methylpyridin-2-amine (CID 975620) is N-[(4-chlorophenyl)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-methylpyridin-2-amine is Cc1ccnc(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-methylpyridin-2-amine?
The InChIKey is NQBXTWUDCJPOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-10-6-7-15-13(8-10)16-9-11-2-4-12(14)5-3-11/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-methylpyridin-2-amine?
N-[(4-chlorophenyl)methyl]-4-methylpyridin-2-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 N-[(4-chlorophenyl)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 975620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).