4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine

C13H11Cl3N2 — CID 14953004

IUPAC4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine
SMILESNc1cc(Cl)ccc1NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl3N2/c14-9-2-4-13(12(17)6-9)18-7-8-1-3-10(15)11(16)5-8/h1-6,18H,7,17H2
InChIKeyBIHPWXNCLFHQLD-UHFFFAOYSA-N
MW301.60 g/mol
LogP4.84
Rot. Bonds3

About 4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine

4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine (PubChem CID 14953004) has the molecular formula C13H11Cl3N2 and a molecular weight of 301.60 g/mol. Its IUPAC name is 4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine
PubChem CID14953004
Molecular FormulaC13H11Cl3N2
Molecular Weight301.60 g/mol
Exact Mass300.00
IUPAC Name4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine
SMILESNc1cc(Cl)ccc1NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl3N2/c14-9-2-4-13(12(17)6-9)18-7-8-1-3-10(15)11(16)5-8/h1-6,18H,7,17H2
InChIKeyBIHPWXNCLFHQLD-UHFFFAOYSA-N
XLogP4.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.60
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-N-[(3,4-dimethylphenyl)methyl]benzene-1,2-diamine
CID 115125234
4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline
CID 28545153
1-N-[(4-bromophenyl)methyl]-4-chlorobenzene-1,2-diamine
CID 14953000
N-[(3,4-dichlorophenyl)methyl]-2,3,4-trifluoroaniline
CID 28546142
N-(2-amino-4-chlorophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045441
3-amino-4-[(3-chloro-4-fluorophenyl)methylamino]benzenesulfonamide
CID 62537254
N-[(3,4-dichlorophenyl)methyl]-2,4,5-trifluoroaniline
CID 63476489
1-N-[(3,4-difluorophenyl)methyl]-4-fluorobenzene-1,2-diamine
CID 54965616
3-amino-4-[(4-chlorophenyl)methylamino]benzonitrile
CID 43517989
N-[(3,4-dichlorophenyl)methyl]-2,3,5-trifluoroaniline
CID 55193721
5-N-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-1,3-benzothiazole-5,6-diamine
CID 62538245
2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine
CID 15680100

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine (CID 14953004) is 4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine is Nc1cc(Cl)ccc1NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine?
The InChIKey is BIHPWXNCLFHQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2/c14-9-2-4-13(12(17)6-9)18-7-8-1-3-10(15)11(16)5-8/h1-6,18H,7,17H2.
What are the key properties of 4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine?
4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine has a molecular weight of 301.60 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 14953004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).