3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine

C13H13ClN2 — CID 107560925

IUPAC3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(Cc2cccnc2N)cc1Cl
InChIInChI=1S/C13H13ClN2/c1-9-4-5-10(8-12(9)14)7-11-3-2-6-16-13(11)15/h2-6,8H,7H2,1H3,(H2,15,16)
InChIKeyCADIBXXATCFZAA-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.22
Rot. Bonds2

About 3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine

3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine (PubChem CID 107560925) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine
PubChem CID107560925
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(Cc2cccnc2N)cc1Cl
InChIInChI=1S/C13H13ClN2/c1-9-4-5-10(8-12(9)14)7-11-3-2-6-16-13(11)15/h2-6,8H,7H2,1H3,(H2,15,16)
InChIKeyCADIBXXATCFZAA-UHFFFAOYSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine (CID 107560925) is 3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine is Cc1ccc(Cc2cccnc2N)cc1Cl.
What is the InChIKey of 3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is CADIBXXATCFZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-9-4-5-10(8-12(9)14)7-11-3-2-6-16-13(11)15/h2-6,8H,7H2,1H3,(H2,15,16).
What are the key properties of 3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine?
3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 232.71 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 107560925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).