4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine

C21H22N2 — CID 155386748

IUPAC4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine
SMILESCCc1cccc(Nc2ccc(Nc3ccccc3)cc2)c1C
InChIInChI=1S/C21H22N2/c1-3-17-8-7-11-21(16(17)2)23-20-14-12-19(13-15-20)22-18-9-5-4-6-10-18/h4-15,22-23H,3H2,1-2H3
InChIKeyZOCPKQQTKWUMKW-UHFFFAOYSA-N
MW302.42 g/mol
LogP6.04
Rot. Bonds5

About 4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine

4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine (PubChem CID 155386748) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine
PubChem CID155386748
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine
SMILESCCc1cccc(Nc2ccc(Nc3ccccc3)cc2)c1C
InChIInChI=1S/C21H22N2/c1-3-17-8-7-11-21(16(17)2)23-20-14-12-19(13-15-20)22-18-9-5-4-6-10-18/h4-15,22-23H,3H2,1-2H3
InChIKeyZOCPKQQTKWUMKW-UHFFFAOYSA-N
XLogP6.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-phenylaniline
CID 14952469
2,6-diethyl-N-phenylaniline
CID 45095580
4-N-(2-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027221
4-(2-ethylanilino)benzenethiol
CID 166755248
N-(4-anilinophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511452
2-methyl-3-(2-methylphenyl)-N-phenylaniline
CID 145291180
2,3-dihexadecyl-N-phenylaniline
CID 139699998
2-[3-(hydroxymethyl)-2-methylanilino]benzoic acid
CID 610738
2-[2-(2,3-dimethylanilino)phenyl]acetic acid
CID 14762938
2-[3-(iodomethyl)-2-methylanilino]benzoic acid
CID 129146645
2-pentyl-N-phenylaniline
CID 20516677
2-(methylsulfanylmethyl)-N-phenylaniline
CID 15727799

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine (CID 155386748) is 4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine is CCc1cccc(Nc2ccc(Nc3ccccc3)cc2)c1C.
What is the InChIKey of 4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine?
The InChIKey is ZOCPKQQTKWUMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-3-17-8-7-11-21(16(17)2)23-20-14-12-19(13-15-20)22-18-9-5-4-6-10-18/h4-15,22-23H,3H2,1-2H3.
What are the key properties of 4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine?
4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine has a molecular weight of 302.42 g/mol, XLogP of 6.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 155386748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).