2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline

C13H13ClN2 — CID 65024391

IUPAC2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline
SMILESClCc1ccccc1NCc1cccnc1
InChIInChI=1S/C13H13ClN2/c14-8-12-5-1-2-6-13(12)16-10-11-4-3-7-15-9-11/h1-7,9,16H,8,10H2
InChIKeyVCJBGEFUNRDZGZ-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.43
Rot. Bonds4

About 2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline

2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline (PubChem CID 65024391) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline
PubChem CID65024391
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline
SMILESClCc1ccccc1NCc1cccnc1
InChIInChI=1S/C13H13ClN2/c14-8-12-5-1-2-6-13(12)16-10-11-4-3-7-15-9-11/h1-7,9,16H,8,10H2
InChIKeyVCJBGEFUNRDZGZ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
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

[2-(pyridin-3-ylmethylamino)phenyl]methanol
CID 43743160
2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43750320
N-benzyl-2-(chloromethyl)aniline
CID 15078992
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
2-(pyridin-3-ylmethylamino)benzoic acid;dihydrochloride
CID 17059960
N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304
5-(pyridin-3-ylmethylamino)naphthalen-1-ol
CID 43742968
2-chloro-N-(pyridin-3-ylmethyl)thiophen-3-amine
CID 130653950
2-(chloromethyl)-N-[(4-methylphenyl)methyl]aniline
CID 65023637
2-ethyl-N-(2-pyridin-3-ylethyl)aniline
CID 55169393

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline (CID 65024391) is 2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline is ClCc1ccccc1NCc1cccnc1.
What is the InChIKey of 2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is VCJBGEFUNRDZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-8-12-5-1-2-6-13(12)16-10-11-4-3-7-15-9-11/h1-7,9,16H,8,10H2.
What are the key properties of 2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline?
2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 232.71 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 65024391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).