1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine

C15H21BrFN — CID 43775644

IUPAC1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
SMILESCC(NCC1CCCCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H21BrFN/c1-11(13-7-8-15(17)14(16)9-13)18-10-12-5-3-2-4-6-12/h7-9,11-12,18H,2-6,10H2,1H3
InChIKeyXGNVQXXMTOSZEJ-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.82
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine

1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine (PubChem CID 43775644) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
PubChem CID43775644
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
SMILESCC(NCC1CCCCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H21BrFN/c1-11(13-7-8-15(17)14(16)9-13)18-10-12-5-3-2-4-6-12/h7-9,11-12,18H,2-6,10H2,1H3
InChIKeyXGNVQXXMTOSZEJ-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

N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
1-(3-bromo-4-fluorophenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80600440
1-(3-bromo-4-fluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013264
1-(3-bromo-4-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927743
1-(3-bromo-4-fluorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 113260519
1-(5-bromo-2-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82962734
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
CID 43764811
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 79746697
1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
CID 114457720
1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 55192396

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine (CID 43775644) is 1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine is CC(NCC1CCCCC1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine?
The InChIKey is XGNVQXXMTOSZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-11(13-7-8-15(17)14(16)9-13)18-10-12-5-3-2-4-6-12/h7-9,11-12,18H,2-6,10H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine?
1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine 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-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine is sourced from PubChem (CID 43775644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).