4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline

C18H17N — CID 143057958

IUPAC4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
SMILESNc1ccc(C2=CCC(c3ccccc3)C=C2)cc1
InChIInChI=1S/C18H17N/c19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-6,8-13,15H,7,19H2
InChIKeyPXAGSSLZRACYLJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.40
Rot. Bonds2

About 4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline

4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline (PubChem CID 143057958) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline.

Molecular Properties

Compound Name4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
PubChem CID143057958
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
SMILESNc1ccc(C2=CCC(c3ccccc3)C=C2)cc1
InChIInChI=1S/C18H17N/c19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-6,8-13,15H,7,19H2
InChIKeyPXAGSSLZRACYLJ-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline 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 4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline?
The IUPAC name of 4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline (CID 143057958) is 4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline.
What is the SMILES notation for 4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline?
The canonical SMILES for 4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline is Nc1ccc(C2=CCC(c3ccccc3)C=C2)cc1.
What is the InChIKey of 4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline?
The InChIKey is PXAGSSLZRACYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-6,8-13,15H,7,19H2.
What are the key properties of 4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline?
4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline has a molecular weight of 247.34 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline is sourced from PubChem (CID 143057958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).