4-N-(4-ethylphenyl)benzene-1,4-diamine

C14H16N2 — CID 4764083

IUPAC4-N-(4-ethylphenyl)benzene-1,4-diamine
SMILESCCc1ccc(Nc2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N2/c1-2-11-3-7-13(8-4-11)16-14-9-5-12(15)6-10-14/h3-10,16H,2,15H2,1H3
InChIKeyVJJYYGFAZVNHAZ-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.57
Rot. Bonds3

About 4-N-(4-ethylphenyl)benzene-1,4-diamine

4-N-(4-ethylphenyl)benzene-1,4-diamine (PubChem CID 4764083) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-N-(4-ethylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethylphenyl)benzene-1,4-diamine
PubChem CID4764083
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4-N-(4-ethylphenyl)benzene-1,4-diamine
SMILESCCc1ccc(Nc2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N2/c1-2-11-3-7-13(8-4-11)16-14-9-5-12(15)6-10-14/h3-10,16H,2,15H2,1H3
InChIKeyVJJYYGFAZVNHAZ-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-ethylaniline;hydrobromide
CID 86059477
4-N-(4-aminophenyl)benzene-1,4-diamine
CID 10841
4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027222
4-[(4-ethylphenyl)methyl]aniline
CID 39242922
4-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43436308
1-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43165590
2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine
CID 106889893
1-ethyl-3,5-di(propan-2-yl)benzene;4-N-phenylbenzene-1,4-diamine
CID 143284879
3-amino-5-(4-ethylanilino)benzenesulfonamide
CID 60987876
4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22544339
2-[4-(4-aminoanilino)phenyl]acetonitrile
CID 62302194
4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
CID 43587265

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-ethylphenyl)benzene-1,4-diamine (CID 4764083) is 4-N-(4-ethylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-ethylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-ethylphenyl)benzene-1,4-diamine is CCc1ccc(Nc2ccc(N)cc2)cc1.
What is the InChIKey of 4-N-(4-ethylphenyl)benzene-1,4-diamine?
The InChIKey is VJJYYGFAZVNHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-11-3-7-13(8-4-11)16-14-9-5-12(15)6-10-14/h3-10,16H,2,15H2,1H3.
What are the key properties of 4-N-(4-ethylphenyl)benzene-1,4-diamine?
4-N-(4-ethylphenyl)benzene-1,4-diamine has a molecular weight of 212.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 4764083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).