2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine

C23H26N2 — CID 175547024

IUPAC2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine
SMILESCCc1cc(NC(C)c2ccccc2)ccc1Nc1ccccc1C
InChIInChI=1S/C23H26N2/c1-4-19-16-21(24-18(3)20-11-6-5-7-12-20)14-15-23(19)25-22-13-9-8-10-17(22)2/h5-16,18,24-25H,4H2,1-3H3
InChIKeyLYOCOXPOLAWPKN-UHFFFAOYSA-N
MW330.48 g/mol
LogP6.47
Rot. Bonds6

About 2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine

2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine (PubChem CID 175547024) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine
PubChem CID175547024
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine
SMILESCCc1cc(NC(C)c2ccccc2)ccc1Nc1ccccc1C
InChIInChI=1S/C23H26N2/c1-4-19-16-21(24-18(3)20-11-6-5-7-12-20)14-15-23(19)25-22-13-9-8-10-17(22)2/h5-16,18,24-25H,4H2,1-3H3
InChIKeyLYOCOXPOLAWPKN-UHFFFAOYSA-N
XLogP6.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

Analyze 2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine?
The IUPAC name of 2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine (CID 175547024) is 2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine?
The canonical SMILES for 2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine is CCc1cc(NC(C)c2ccccc2)ccc1Nc1ccccc1C.
What is the InChIKey of 2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine?
The InChIKey is LYOCOXPOLAWPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-4-19-16-21(24-18(3)20-11-6-5-7-12-20)14-15-23(19)25-22-13-9-8-10-17(22)2/h5-16,18,24-25H,4H2,1-3H3.
What are the key properties of 2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine?
2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine has a molecular weight of 330.48 g/mol, XLogP of 6.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N-(2-methylphenyl)-4-N-(1-phenylethyl)benzene-1,4-diamine is sourced from PubChem (CID 175547024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).