4-(4-aminophenyl)aniline;phenol

C24H24N2O2 — CID 159428015

IUPAC4-(4-aminophenyl)aniline;phenol
SMILESNc1ccc(-c2ccc(N)cc2)cc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C12H12N2.2C6H6O/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*7-6-4-2-1-3-5-6/h1-8H,13-14H2;2*1-5,7H
InChIKeyLQPRZSBUWJOATF-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.30
Rot. Bonds1

About 4-(4-aminophenyl)aniline;phenol

4-(4-aminophenyl)aniline;phenol (PubChem CID 159428015) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-(4-aminophenyl)aniline;phenol.

Molecular Properties

Compound Name4-(4-aminophenyl)aniline;phenol
PubChem CID159428015
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name4-(4-aminophenyl)aniline;phenol
SMILESNc1ccc(-c2ccc(N)cc2)cc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C12H12N2.2C6H6O/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*7-6-4-2-1-3-5-6/h1-8H,13-14H2;2*1-5,7H
InChIKeyLQPRZSBUWJOATF-UHFFFAOYSA-N
XLogP5.30
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.30
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

aniline;1,1'-biphenyl;phenol;hydroiodide
CID 172679592
aniline;benzene;phenol
CID 159610058
aniline;phenol
CID 174726991
aniline;benzene;benzene-1,4-diol
CID 175585204
benzene;1,1'-biphenyl;phenol
CID 159528072
phenol;titanium(2+)
CID 23042599
4-N,4-N-dimethylbenzene-1,4-diamine;4-phenylphenol
CID 155250845
hydrazine;phenol
CID 70470344
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
phenol;thiohydroxylamine
CID 175057417
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
4-(4-aminophenyl)aniline;2-chlorophenol
CID 19386561

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)aniline;phenol?
The IUPAC name of 4-(4-aminophenyl)aniline;phenol (CID 159428015) is 4-(4-aminophenyl)aniline;phenol.
What is the SMILES notation for 4-(4-aminophenyl)aniline;phenol?
The canonical SMILES for 4-(4-aminophenyl)aniline;phenol is Nc1ccc(-c2ccc(N)cc2)cc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of 4-(4-aminophenyl)aniline;phenol?
The InChIKey is LQPRZSBUWJOATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.2C6H6O/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*7-6-4-2-1-3-5-6/h1-8H,13-14H2;2*1-5,7H.
What are the key properties of 4-(4-aminophenyl)aniline;phenol?
4-(4-aminophenyl)aniline;phenol has a molecular weight of 372.47 g/mol, XLogP of 5.30, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)aniline;phenol is sourced from PubChem (CID 159428015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).