1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine

C13H13ClN2 — CID 4719779

IUPAC1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESClc1cccc(CNCc2ccccn2)c1
InChIInChI=1S/C13H13ClN2/c14-12-5-3-4-11(8-12)9-15-10-13-6-1-2-7-16-13/h1-8,15H,9-10H2
InChIKeyJXECVYFXQDKIJB-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.02
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine

1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 4719779) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID4719779
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine
SMILESClc1cccc(CNCc2ccccn2)c1
InChIInChI=1S/C13H13ClN2/c14-12-5-3-4-11(8-12)9-15-10-13-6-1-2-7-16-13/h1-8,15H,9-10H2
InChIKeyJXECVYFXQDKIJB-UHFFFAOYSA-N
XLogP3.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 60711332
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 4720614
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
N'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide
CID 25231665
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine
CID 4723727
N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 25042955
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine
CID 158212763
1-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 17057033
1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 62538894

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine (CID 4719779) is 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine is Clc1cccc(CNCc2ccccn2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is JXECVYFXQDKIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-12-5-3-4-11(8-12)9-15-10-13-6-1-2-7-16-13/h1-8,15H,9-10H2.
What are the key properties of 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine?
1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 232.71 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 4719779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).