1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine

C15H21BrFN — CID 114906443

IUPAC1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine
SMILESCNC(CC1CCCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C15H21BrFN/c1-18-15(9-11-5-3-2-4-6-11)13-8-7-12(16)10-14(13)17/h7-8,10-11,15,18H,2-6,9H2,1H3
InChIKeyQXMGGWFVCJGDPU-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.82
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine

1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine (PubChem CID 114906443) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine
PubChem CID114906443
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine
SMILESCNC(CC1CCCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C15H21BrFN/c1-18-15(9-11-5-3-2-4-6-11)13-8-7-12(16)10-14(13)17/h7-8,10-11,15,18H,2-6,9H2,1H3
InChIKeyQXMGGWFVCJGDPU-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine
CID 115841909
2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115847143
1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine
CID 115847250
1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine
CID 106647929
1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine
CID 115842237
N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 114895057
2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 62603934
1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489
2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 62601380
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 63418000
1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951610

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine (CID 114906443) is 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine is CNC(CC1CCCCC1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine?
The InChIKey is QXMGGWFVCJGDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-18-15(9-11-5-3-2-4-6-11)13-8-7-12(16)10-14(13)17/h7-8,10-11,15,18H,2-6,9H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine?
1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine has a molecular weight of 314.24 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine is sourced from PubChem (CID 114906443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).