N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

C15H18FN — CID 81348288

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC[C@@H](NC1CC2CC=CC21)c1ccc(F)cc1
InChIInChI=1S/C15H18FN/c1-10(11-5-7-13(16)8-6-11)17-15-9-12-3-2-4-14(12)15/h2,4-8,10,12,14-15,17H,3,9H2,1H3/t10-,12?,14?,15?/m1/s1
InChIKeyIJSUOXDFDCWHDL-GBUIOSHMSA-N
MW231.31 g/mol
LogP3.44
Rot. Bonds3

About N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 81348288) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID81348288
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC[C@@H](NC1CC2CC=CC21)c1ccc(F)cc1
InChIInChI=1S/C15H18FN/c1-10(11-5-7-13(16)8-6-11)17-15-9-12-3-2-4-14(12)15/h2,4-8,10,12,14-15,17H,3,9H2,1H3/t10-,12?,14?,15?/m1/s1
InChIKeyIJSUOXDFDCWHDL-GBUIOSHMSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43779215
N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81371686
N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81402601
N-[1-(3-nitrophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 54864456
N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61309333
N-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43223321
N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43783255
2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103244298
2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]oxolan-3-amine
CID 103905775
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
N-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81388211

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 81348288) is N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is C[C@@H](NC1CC2CC=CC21)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is IJSUOXDFDCWHDL-GBUIOSHMSA-N. The full InChI is InChI=1S/C15H18FN/c1-10(11-5-7-13(16)8-6-11)17-15-9-12-3-2-4-14(12)15/h2,4-8,10,12,14-15,17H,3,9H2,1H3/t10-,12?,14?,15?/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 231.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 81348288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).