2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine

C16H23BrFN — CID 65398871

IUPAC2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1Br)C1CCCCCC1
InChIInChI=1S/C16H23BrFN/c1-19-16(12-6-4-2-3-5-7-12)11-13-10-14(18)8-9-15(13)17/h8-10,12,16,19H,2-7,11H2,1H3
InChIKeyOVGVKCCKHFSAGK-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.69
Rot. Bonds4

About 2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine

2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine (PubChem CID 65398871) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
PubChem CID65398871
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1Br)C1CCCCCC1
InChIInChI=1S/C16H23BrFN/c1-19-16(12-6-4-2-3-5-7-12)11-13-10-14(18)8-9-15(13)17/h8-10,12,16,19H,2-7,11H2,1H3
InChIKeyOVGVKCCKHFSAGK-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63415205
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
CID 65399564
1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 103168480
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424573
2-(2-bromo-5-fluorophenyl)-1-(2,2-dimethylcyclopropyl)-N-methylethanamine
CID 107004316
N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 115926878
1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine
CID 55091488
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 115843648
1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245
1-(7-bicyclo[4.1.0]heptanyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843516
[2-(2-bromo-5-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine
CID 105230037

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine (CID 65398871) is 2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine is CNC(Cc1cc(F)ccc1Br)C1CCCCCC1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine?
The InChIKey is OVGVKCCKHFSAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-19-16(12-6-4-2-3-5-7-12)11-13-10-14(18)8-9-15(13)17/h8-10,12,16,19H,2-7,11H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine?
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine has a molecular weight of 328.27 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine is sourced from PubChem (CID 65398871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).