2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine

C14H14Cl2N2 — CID 106890024

IUPAC2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
SMILESCc1cccc(CNc2c(Cl)cc(N)cc2Cl)c1
InChIInChI=1S/C14H14Cl2N2/c1-9-3-2-4-10(5-9)8-18-14-12(15)6-11(17)7-13(14)16/h2-7,18H,8,17H2,1H3
InChIKeyJMSXGYGXAHCYTH-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.50
Rot. Bonds3

About 2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine

2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine (PubChem CID 106890024) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
PubChem CID106890024
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
SMILESCc1cccc(CNc2c(Cl)cc(N)cc2Cl)c1
InChIInChI=1S/C14H14Cl2N2/c1-9-3-2-4-10(5-9)8-18-14-12(15)6-11(17)7-13(14)16/h2-7,18H,8,17H2,1H3
InChIKeyJMSXGYGXAHCYTH-UHFFFAOYSA-N
XLogP4.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine 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

5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide
CID 107194342
3-fluoro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 115125763
3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756384
4-chloro-2-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 113315630
4-chloro-5-fluoro-1-N-[(3-methylphenyl)methyl]benzene-1,2-diamine
CID 66077217
2-chloro-N-[(3-methylphenyl)methyl]-6-nitroaniline
CID 62084425
5-chloro-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790786
2,4,6-tribromo-N-[(3-methylphenyl)methyl]aniline
CID 28991909
2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
CID 66253245
4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 28748811
5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide
CID 107195667
5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 28553559

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine (CID 106890024) is 2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine is Cc1cccc(CNc2c(Cl)cc(N)cc2Cl)c1.
What is the InChIKey of 2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine?
The InChIKey is JMSXGYGXAHCYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-9-3-2-4-10(5-9)8-18-14-12(15)6-11(17)7-13(14)16/h2-7,18H,8,17H2,1H3.
What are the key properties of 2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine?
2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine has a molecular weight of 281.19 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 106890024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).