3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline

C14H13Cl2NO — CID 43410779

IUPAC3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(Cl)cc1CNc1cccc(Cl)c1
InChIInChI=1S/C14H13Cl2NO/c1-18-14-6-5-12(16)7-10(14)9-17-13-4-2-3-11(15)8-13/h2-8,17H,9H2,1H3
InChIKeyVEFHYEFPBUENRW-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.61
Rot. Bonds4

About 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline

3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline (PubChem CID 43410779) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
PubChem CID43410779
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(Cl)cc1CNc1cccc(Cl)c1
InChIInChI=1S/C14H13Cl2NO/c1-18-14-6-5-12(16)7-10(14)9-17-13-4-2-3-11(15)8-13/h2-8,17H,9H2,1H3
InChIKeyVEFHYEFPBUENRW-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 43087958
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 43410818
N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine
CID 54905217
3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline
CID 107582300
4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol
CID 28615702
N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 65315852
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-nitroaniline
CID 82862816
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline
CID 742591
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 61038504
4-[(5-chloro-2-methoxyphenyl)methylamino]-N-methylbenzamide
CID 60696773
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3-methoxyaniline
CID 82857973

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline?
The IUPAC name of 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline (CID 43410779) is 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline?
The canonical SMILES for 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline is COc1ccc(Cl)cc1CNc1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline?
The InChIKey is VEFHYEFPBUENRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-18-14-6-5-12(16)7-10(14)9-17-13-4-2-3-11(15)8-13/h2-8,17H,9H2,1H3.
What are the key properties of 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline?
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline has a molecular weight of 282.17 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 43410779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).