4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline

C14H14Cl2N2 — CID 19845090

IUPAC4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline
SMILESCc1cc(-c2cc(C)c(N)cc2Cl)c(Cl)cc1N
InChIInChI=1S/C14H14Cl2N2/c1-7-3-9(11(15)5-13(7)17)10-4-8(2)14(18)6-12(10)16/h3-6H,17-18H2,1-2H3
InChIKeyASSKSJRPTQQHDG-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.44
Rot. Bonds1

About 4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline

4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline (PubChem CID 19845090) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline.

Molecular Properties

Compound Name4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline
PubChem CID19845090
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline
SMILESCc1cc(-c2cc(C)c(N)cc2Cl)c(Cl)cc1N
InChIInChI=1S/C14H14Cl2N2/c1-7-3-9(11(15)5-13(7)17)10-4-8(2)14(18)6-12(10)16/h3-6H,17-18H2,1-2H3
InChIKeyASSKSJRPTQQHDG-UHFFFAOYSA-N
XLogP4.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline?
The IUPAC name of 4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline (CID 19845090) is 4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline.
What is the SMILES notation for 4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline?
The canonical SMILES for 4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline is Cc1cc(-c2cc(C)c(N)cc2Cl)c(Cl)cc1N.
What is the InChIKey of 4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline?
The InChIKey is ASSKSJRPTQQHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-7-3-9(11(15)5-13(7)17)10-4-8(2)14(18)6-12(10)16/h3-6H,17-18H2,1-2H3.
What are the key properties of 4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline?
4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline has a molecular weight of 281.19 g/mol, XLogP of 4.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline is sourced from PubChem (CID 19845090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).