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

C14H14Cl2N2 — CID 43563593

IUPAC3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCN(Cc1cccnc1)c1cccc(Cl)c1CCl
InChIInChI=1S/C14H14Cl2N2/c1-18(10-11-4-3-7-17-9-11)14-6-2-5-13(16)12(14)8-15/h2-7,9H,8,10H2,1H3
InChIKeyOGPXBDKZHCPCTA-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.11
Rot. Bonds4

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

3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline (PubChem CID 43563593) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
PubChem CID43563593
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCN(Cc1cccnc1)c1cccc(Cl)c1CCl
InChIInChI=1S/C14H14Cl2N2/c1-18(10-11-4-3-7-17-9-11)14-6-2-5-13(16)12(14)8-15/h2-7,9H,8,10H2,1H3
InChIKeyOGPXBDKZHCPCTA-UHFFFAOYSA-N
XLogP4.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563639
3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563633
[2-chloro-6-[methyl(pyridin-4-ylmethyl)amino]phenyl]methanol
CID 43564416
3,5,6-trichloro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 102750389
2-(chloromethyl)-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563584
3-chloro-N-methyl-2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 43564469
3-chloro-2-(chloromethyl)-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 63540974
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
5-chloro-6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione
CID 79342515
6-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 66467781
2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563493

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline (CID 43563593) is 3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline is CN(Cc1cccnc1)c1cccc(Cl)c1CCl.
What is the InChIKey of 3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is OGPXBDKZHCPCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-18(10-11-4-3-7-17-9-11)14-6-2-5-13(16)12(14)8-15/h2-7,9H,8,10H2,1H3.
What are the key properties of 3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline?
3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 281.19 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 43563593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).