N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine

C19H19NO — CID 63456328

IUPACN-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H19NO/c1-2-8-16(9-3-1)21-17-10-5-7-15(13-17)20-19-12-14-6-4-11-18(14)19/h1-5,7-11,13-14,18-20H,6,12H2
InChIKeyJFFGFMKAEUBMPM-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.86
Rot. Bonds4

About N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 63456328) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID63456328
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H19NO/c1-2-8-16(9-3-1)21-17-10-5-7-15(13-17)20-19-12-14-6-4-11-18(14)19/h1-5,7-11,13-14,18-20H,6,12H2
InChIKeyJFFGFMKAEUBMPM-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine 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 N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 63456328) is N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine is C1=CC2C(C1)CC2Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is JFFGFMKAEUBMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-8-16(9-3-1)21-17-10-5-7-15(13-17)20-19-12-14-6-4-11-18(14)19/h1-5,7-11,13-14,18-20H,6,12H2.
What are the key properties of N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 277.37 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 63456328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).