4-N-(4-anilinophenyl)benzene-1,2,4-triamine

C18H18N4 — CID 57184309

IUPAC4-N-(4-anilinophenyl)benzene-1,2,4-triamine
SMILESNc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1N
InChIInChI=1S/C18H18N4/c19-17-11-10-16(12-18(17)20)22-15-8-6-14(7-9-15)21-13-4-2-1-3-5-13/h1-12,21-22H,19-20H2
InChIKeyYEBIAWQPBUBOOG-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.34
Rot. Bonds4

About 4-N-(4-anilinophenyl)benzene-1,2,4-triamine

4-N-(4-anilinophenyl)benzene-1,2,4-triamine (PubChem CID 57184309) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-N-(4-anilinophenyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(4-anilinophenyl)benzene-1,2,4-triamine
PubChem CID57184309
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name4-N-(4-anilinophenyl)benzene-1,2,4-triamine
SMILESNc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1N
InChIInChI=1S/C18H18N4/c19-17-11-10-16(12-18(17)20)22-15-8-6-14(7-9-15)21-13-4-2-1-3-5-13/h1-12,21-22H,19-20H2
InChIKeyYEBIAWQPBUBOOG-UHFFFAOYSA-N
XLogP4.34
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-bromophenyl)benzene-1,2,4-triamine
CID 106750334
4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine
CID 106750291
2-amino-5-anilinobenzaldehyde
CID 154532798
hydrazine;N-phenylaniline
CID 159755629
2-nitro-4-N-phenylbenzene-1,4-diamine
CID 20831862
2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
2-(benzenesulfonyl)-4-N-phenylbenzene-1,4-diamine
CID 122402381
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
azane;N-phenylaniline
CID 67074378
4-N-phenyl-2-propoxybenzene-1,4-diamine
CID 55233336
4-N-(4-aminophenyl)-2-fluorobenzene-1,4-diamine
CID 154140072
2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158558488

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-anilinophenyl)benzene-1,2,4-triamine?
The IUPAC name of 4-N-(4-anilinophenyl)benzene-1,2,4-triamine (CID 57184309) is 4-N-(4-anilinophenyl)benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(4-anilinophenyl)benzene-1,2,4-triamine?
The canonical SMILES for 4-N-(4-anilinophenyl)benzene-1,2,4-triamine is Nc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1N.
What is the InChIKey of 4-N-(4-anilinophenyl)benzene-1,2,4-triamine?
The InChIKey is YEBIAWQPBUBOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c19-17-11-10-16(12-18(17)20)22-15-8-6-14(7-9-15)21-13-4-2-1-3-5-13/h1-12,21-22H,19-20H2.
What are the key properties of 4-N-(4-anilinophenyl)benzene-1,2,4-triamine?
4-N-(4-anilinophenyl)benzene-1,2,4-triamine has a molecular weight of 290.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-anilinophenyl)benzene-1,2,4-triamine is sourced from PubChem (CID 57184309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).