1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine

C16H21BrClN — CID 105037951

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1Cl)C1C2CCCC21
InChIInChI=1S/C16H21BrClN/c1-2-19-15(16-12-4-3-5-13(12)16)8-10-6-7-11(17)9-14(10)18/h6-7,9,12-13,15-16,19H,2-5,8H2,1H3
InChIKeyVPYQLZWFBMOKEN-UHFFFAOYSA-N
MW342.71 g/mol
LogP4.67
Rot. Bonds5

About 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine

1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine (PubChem CID 105037951) has the molecular formula C16H21BrClN and a molecular weight of 342.71 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine
PubChem CID105037951
Molecular FormulaC16H21BrClN
Molecular Weight342.71 g/mol
Exact Mass341.05
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1Cl)C1C2CCCC21
InChIInChI=1S/C16H21BrClN/c1-2-19-15(16-12-4-3-5-13(12)16)8-10-6-7-11(17)9-14(10)18/h6-7,9,12-13,15-16,19H,2-5,8H2,1H3
InChIKeyVPYQLZWFBMOKEN-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.71
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 113471301
2-(4-bromo-2-chlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105181702
[2-(4-bromo-2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105224466
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(2-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 115840407
[1-(6-bicyclo[3.1.0]hexanyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105295110
1-(7-bicyclo[4.1.0]heptanyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843516
[2-(4-bromo-2-chlorophenyl)-1-cyclohexylethyl]hydrazine
CID 105201861
3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 113471085
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-cyclohexylethanamine
CID 104862320
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724731
[2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine
CID 105255480

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine (CID 105037951) is 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Br)cc1Cl)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine?
The InChIKey is VPYQLZWFBMOKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClN/c1-2-19-15(16-12-4-3-5-13(12)16)8-10-6-7-11(17)9-14(10)18/h6-7,9,12-13,15-16,19H,2-5,8H2,1H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine?
1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine has a molecular weight of 342.71 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-bromo-2-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 105037951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).