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

C14H16ClN3 — CID 43563639

IUPAC2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCN(Cc1cccnc1)c1cccc(Cl)c1CN
InChIInChI=1S/C14H16ClN3/c1-18(10-11-4-3-7-17-9-11)14-6-2-5-13(15)12(14)8-16/h2-7,9H,8,10,16H2,1H3
InChIKeyYNPNHZJWBXDKDB-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.83
Rot. Bonds4

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

2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline (PubChem CID 43563639) 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-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline
PubChem CID43563639
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCN(Cc1cccnc1)c1cccc(Cl)c1CN
InChIInChI=1S/C14H16ClN3/c1-18(10-11-4-3-7-17-9-11)14-6-2-5-13(15)12(14)8-16/h2-7,9H,8,10,16H2,1H3
InChIKeyYNPNHZJWBXDKDB-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

3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563593
3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563633
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 43565251
3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102750389
[2-chloro-6-[methyl(pyridin-4-ylmethyl)amino]phenyl]methanol
CID 43564416
2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563493
5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione
CID 79342515
3-chloro-N-methyl-2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 43564469
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 79517600
5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine
CID 43563386
1-[3-chloro-4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanone
CID 62909147

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline (CID 43563639) is 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline is CN(Cc1cccnc1)c1cccc(Cl)c1CN.
What is the InChIKey of 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is YNPNHZJWBXDKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-18(10-11-4-3-7-17-9-11)14-6-2-5-13(15)12(14)8-16/h2-7,9H,8,10,16H2,1H3.
What are the key properties of 2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline?
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-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-3-ylmethyl)aniline is sourced from PubChem (CID 43563639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).