1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine

C16H23BrFN — CID 106647929

IUPAC1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine
SMILESCNC(CC1CCCCCC1)c1cccc(Br)c1F
InChIInChI=1S/C16H23BrFN/c1-19-15(11-12-7-4-2-3-5-8-12)13-9-6-10-14(17)16(13)18/h6,9-10,12,15,19H,2-5,7-8,11H2,1H3
InChIKeyUSGCPSMQTQFBGX-UHFFFAOYSA-N
MW328.27 g/mol
LogP5.21
Rot. Bonds4

About 1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine

1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine (PubChem CID 106647929) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine
PubChem CID106647929
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine
SMILESCNC(CC1CCCCCC1)c1cccc(Br)c1F
InChIInChI=1S/C16H23BrFN/c1-19-15(11-12-7-4-2-3-5-8-12)13-9-6-10-14(17)16(13)18/h6,9-10,12,15,19H,2-5,7-8,11H2,1H3
InChIKeyUSGCPSMQTQFBGX-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.27
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromo-2-fluorophenyl)-2-cycloheptylethyl]propan-1-amine
CID 106647563
1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine
CID 114906443
(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol
CID 131031091
1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine
CID 106944871
1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
CID 114192091
N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine
CID 106645693
[2-cyclopentyl-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 105299116
[2-cycloheptyl-1-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105329278
[1-(3-bromo-2-fluorophenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 106649857
2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 62603934
1-(3-bromo-2-fluorophenyl)-N-methylpent-3-yn-1-amine
CID 107952556
[2-cyclobutyl-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105310166

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine (CID 106647929) is 1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine is CNC(CC1CCCCCC1)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine?
The InChIKey is USGCPSMQTQFBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-19-15(11-12-7-4-2-3-5-8-12)13-9-6-10-14(17)16(13)18/h6,9-10,12,15,19H,2-5,7-8,11H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine?
1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine has a molecular weight of 328.27 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine is sourced from PubChem (CID 106647929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).