1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine

C15H19BrFN — CID 115818368

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Br)c1)C1C2CCCC21
InChIInChI=1S/C15H19BrFN/c1-18-14(15-10-3-2-4-11(10)15)8-9-5-6-13(17)12(16)7-9/h5-7,10-11,14-15,18H,2-4,8H2,1H3
InChIKeyRUKXFDXYEMJWEB-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.76
Rot. Bonds4

About 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine

1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine (PubChem CID 115818368) has the molecular formula C15H19BrFN and a molecular weight of 312.23 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine
PubChem CID115818368
Molecular FormulaC15H19BrFN
Molecular Weight312.23 g/mol
Exact Mass311.07
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)c(Br)c1)C1C2CCCC21
InChIInChI=1S/C15H19BrFN/c1-18-14(15-10-3-2-4-11(10)15)8-9-5-6-13(17)12(16)7-9/h5-7,10-11,14-15,18H,2-4,8H2,1H3
InChIKeyRUKXFDXYEMJWEB-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine with MolForge

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 64987034
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115829530
2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 65390837
2-(3-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107188023
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)-N-methylethanamine
CID 105015427
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65424348
[2-(3-bromo-4-fluorophenyl)-1-(2-methylcyclopentyl)ethyl]hydrazine
CID 107193478
2-(3-bromo-4-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658598
1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115862958
2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol
CID 64986950
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170422
1-(3-bromo-4-fluorophenyl)-3-(4-bromophenyl)-N-methylpropan-2-amine
CID 63412804

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine (CID 115818368) is 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)c(Br)c1)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine?
The InChIKey is RUKXFDXYEMJWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN/c1-18-14(15-10-3-2-4-11(10)15)8-9-5-6-13(17)12(16)7-9/h5-7,10-11,14-15,18H,2-4,8H2,1H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine?
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine has a molecular weight of 312.23 g/mol, XLogP of 3.76, 4 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-(3-bromo-4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 115818368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).