N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

C15H18ClN — CID 81371686

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC[C@H](NC1CC2CC=CC21)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClN/c1-10(11-4-2-6-13(16)8-11)17-15-9-12-5-3-7-14(12)15/h2-4,6-8,10,12,14-15,17H,5,9H2,1H3/t10-,12?,14?,15?/m0/s1
InChIKeyRFJBWBLMXFGMJC-SBRZMFFBSA-N
MW247.77 g/mol
LogP3.96
Rot. Bonds3

About N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 81371686) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID81371686
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC[C@H](NC1CC2CC=CC21)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClN/c1-10(11-4-2-6-13(16)8-11)17-15-9-12-5-3-7-14(12)15/h2-4,6-8,10,12,14-15,17H,5,9H2,1H3/t10-,12?,14?,15?/m0/s1
InChIKeyRFJBWBLMXFGMJC-SBRZMFFBSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 53.96
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-(3-nitrophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 54864456
N-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43223321
N-[1-(4-tert-butylphenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43779215
N-[1-(3,4-dimethoxyphenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 61174689
N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81348288
N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392322
N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81402601
N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 63994085
N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64774146
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 93419082
N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277317
trans-(1S,2S)-2-[1-(3-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 104956148

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 81371686) is N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is C[C@H](NC1CC2CC=CC21)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is RFJBWBLMXFGMJC-SBRZMFFBSA-N. The full InChI is InChI=1S/C15H18ClN/c1-10(11-4-2-6-13(16)8-11)17-15-9-12-5-3-7-14(12)15/h2-4,6-8,10,12,14-15,17H,5,9H2,1H3/t10-,12?,14?,15?/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 247.77 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 81371686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).