4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine

C15H16Cl2N2 — CID 55141046

IUPAC4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
SMILESCC(c1ccccc1Cl)N(C)c1ccc(Cl)cc1N
InChIInChI=1S/C15H16Cl2N2/c1-10(12-5-3-4-6-13(12)17)19(2)15-8-7-11(16)9-14(15)18/h3-10H,18H2,1-2H3
InChIKeyIJCMNMCHIUGLSA-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.77
Rot. Bonds3

About 4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine

4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine (PubChem CID 55141046) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
PubChem CID55141046
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
SMILESCC(c1ccccc1Cl)N(C)c1ccc(Cl)cc1N
InChIInChI=1S/C15H16Cl2N2/c1-10(12-5-3-4-6-13(12)17)19(2)15-8-7-11(16)9-14(15)18/h3-10H,18H2,1-2H3
InChIKeyIJCMNMCHIUGLSA-UHFFFAOYSA-N
XLogP4.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine (CID 55141046) is 4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine is CC(c1ccccc1Cl)N(C)c1ccc(Cl)cc1N.
What is the InChIKey of 4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine?
The InChIKey is IJCMNMCHIUGLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-10(12-5-3-4-6-13(12)17)19(2)15-8-7-11(16)9-14(15)18/h3-10H,18H2,1-2H3.
What are the key properties of 4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine?
4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine has a molecular weight of 295.21 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 55141046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).