N-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

C15H17Cl2N — CID 43223321

IUPACN-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(NC1CC2CC=CC21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N/c1-9(12-6-5-11(16)8-14(12)17)18-15-7-10-3-2-4-13(10)15/h2,4-6,8-10,13,15,18H,3,7H2,1H3
InChIKeyHCPRMGXTGGBRHH-UHFFFAOYSA-N
MW282.21 g/mol
LogP4.61
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43223321) has the molecular formula C15H17Cl2N and a molecular weight of 282.21 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43223321
Molecular FormulaC15H17Cl2N
Molecular Weight282.21 g/mol
Exact Mass281.07
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(NC1CC2CC=CC21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N/c1-9(12-6-5-11(16)8-14(12)17)18-15-7-10-3-2-4-13(10)15/h2,4-6,8-10,13,15,18H,3,7H2,1H3
InChIKeyHCPRMGXTGGBRHH-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 54.61
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-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81371686
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62397096
N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81348288
N-[1-(4-tert-butylphenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43779215
N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81402601
4-[1-(2,4-dichlorophenyl)ethylamino]-1,1-dioxothiolan-3-ol
CID 60665717
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43761470
[2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol
CID 103785005
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43104674
4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine
CID 60663519
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 43223321) is N-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is CC(NC1CC2CC=CC21)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is HCPRMGXTGGBRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N/c1-9(12-6-5-11(16)8-14(12)17)18-15-7-10-3-2-4-13(10)15/h2,4-6,8-10,13,15,18H,3,7H2,1H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 282.21 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43223321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).