2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline

C14H16ClN3 — CID 43565251

IUPAC2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCN(Cc1ccccn1)c1cccc(Cl)c1CN
InChIInChI=1S/C14H16ClN3/c1-18(10-11-5-2-3-8-17-11)14-7-4-6-13(15)12(14)9-16/h2-8H,9-10,16H2,1H3
InChIKeyCQNRRQLYVYJVLJ-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.83
Rot. Bonds4

About 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline

2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline (PubChem CID 43565251) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline
PubChem CID43565251
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline
SMILESCN(Cc1ccccn1)c1cccc(Cl)c1CN
InChIInChI=1S/C14H16ClN3/c1-18(10-11-5-2-3-8-17-11)14-7-4-6-13(15)12(14)9-16/h2-8H,9-10,16H2,1H3
InChIKeyCQNRRQLYVYJVLJ-UHFFFAOYSA-N
XLogP2.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[methyl(pyridin-2-ylmethyl)amino]benzenecarbothioamide
CID 62502960
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563639
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 103958546
1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564737
3-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 62672521
3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
CID 76984402
2-bromo-6-[methyl(pyridin-2-ylmethyl)amino]benzenecarbothioamide
CID 114882000
2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63786813
8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine
CID 43564940
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
CID 55179840

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline (CID 43565251) is 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline is CN(Cc1ccccn1)c1cccc(Cl)c1CN.
What is the InChIKey of 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is CQNRRQLYVYJVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-18(10-11-5-2-3-8-17-11)14-7-4-6-13(15)12(14)9-16/h2-8H,9-10,16H2,1H3.
What are the key properties of 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline?
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 261.76 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 43565251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).