N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine

C14H15ClN2 — CID 133313300

IUPACN-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine
SMILESCc1cccc(N(C)Cc2ccccc2Cl)n1
InChIInChI=1S/C14H15ClN2/c1-11-6-5-9-14(16-11)17(2)10-12-7-3-4-8-13(12)15/h3-9H,10H2,1-2H3
InChIKeyABIJQKHYJWONGZ-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.68
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine

N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine (PubChem CID 133313300) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine
PubChem CID133313300
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC NameN-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine
SMILESCc1cccc(N(C)Cc2ccccc2Cl)n1
InChIInChI=1S/C14H15ClN2/c1-11-6-5-9-14(16-11)17(2)10-12-7-3-4-8-13(12)15/h3-9H,10H2,1-2H3
InChIKeyABIJQKHYJWONGZ-UHFFFAOYSA-N
XLogP3.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine (CID 133313300) is N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine is Cc1cccc(N(C)Cc2ccccc2Cl)n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine?
The InChIKey is ABIJQKHYJWONGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-11-6-5-9-14(16-11)17(2)10-12-7-3-4-8-13(12)15/h3-9H,10H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine?
N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine has a molecular weight of 246.74 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine is sourced from PubChem (CID 133313300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).