N-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine

C14H16FNO — CID 114838394

IUPACN-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCOc1cc(NC2CC3CC=CC32)ccc1F
InChIInChI=1S/C14H16FNO/c1-17-14-8-10(5-6-12(14)15)16-13-7-9-3-2-4-11(9)13/h2,4-6,8-9,11,13,16H,3,7H2,1H3
InChIKeyMBIHIYPSEGEHIP-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.21
Rot. Bonds3

About N-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 114838394) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID114838394
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC NameN-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCOc1cc(NC2CC3CC=CC32)ccc1F
InChIInChI=1S/C14H16FNO/c1-17-14-8-10(5-6-12(14)15)16-13-7-9-3-2-4-11(9)13/h2,4-6,8-9,11,13,16H,3,7H2,1H3
InChIKeyMBIHIYPSEGEHIP-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-fluorophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 65437109
N-(3,4-diethoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43760539
N-(6-bicyclo[3.2.0]hept-3-enyl)quinoxalin-6-amine
CID 60943145
N-(3-bromophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43762853
N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 63456328
N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)-2-methylphenyl]methanesulfonamide
CID 43790084
N-[4-(2,2,2-trifluoroethoxy)phenyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43781718
N-(4-fluoro-3-methoxyphenyl)thian-4-amine
CID 114837670
4-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1,4-diamine
CID 114838536
N-(6-bicyclo[3.2.0]hept-3-enyl)-1H-indazol-6-amine
CID 43790623
5-(6-bicyclo[3.2.0]hept-3-enylamino)-2-chlorobenzamide
CID 43784525
N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide
CID 60932516

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 114838394) is N-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine is COc1cc(NC2CC3CC=CC32)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is MBIHIYPSEGEHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-17-14-8-10(5-6-12(14)15)16-13-7-9-3-2-4-11(9)13/h2,4-6,8-9,11,13,16H,3,7H2,1H3.
What are the key properties of N-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 233.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 114838394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).