N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine

C17H23NO2 — CID 43760539

IUPACN-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCCOc1ccc(NC2CC3CC=CC32)cc1OCC
InChIInChI=1S/C17H23NO2/c1-3-19-16-9-8-13(11-17(16)20-4-2)18-15-10-12-6-5-7-14(12)15/h5,7-9,11-12,14-15,18H,3-4,6,10H2,1-2H3
InChIKeyGPRYOIHMRWMPOR-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.86
Rot. Bonds6

About N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43760539) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43760539
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCCOc1ccc(NC2CC3CC=CC32)cc1OCC
InChIInChI=1S/C17H23NO2/c1-3-19-16-9-8-13(11-17(16)20-4-2)18-15-10-12-6-5-7-14(12)15/h5,7-9,11-12,14-15,18H,3-4,6,10H2,1-2H3
InChIKeyGPRYOIHMRWMPOR-UHFFFAOYSA-N
XLogP3.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(3,4-diethoxyphenyl)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

Related Compounds

N-(3-chloro-4-propoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 60935728
N-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine
CID 60943145
N-[4-(2-methoxyethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43788885
N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide
CID 60932516
N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 65437109
N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43781718
N-(6-bicyclo[3.2.0]hept-3-enyl)-6-methylsulfonylpyridin-3-amine
CID 43779397
N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43717361
5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide
CID 43784525
3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline
CID 104860047
N-(2-ethylphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43764534
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 43760539) is N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine is CCOc1ccc(NC2CC3CC=CC32)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is GPRYOIHMRWMPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-19-16-9-8-13(11-17(16)20-4-2)18-15-10-12-6-5-7-14(12)15/h5,7-9,11-12,14-15,18H,3-4,6,10H2,1-2H3.
What are the key properties of N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 273.38 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43760539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).