N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine

C15H21BrFN — CID 79710185

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine
SMILESCC(NCc1cc(F)cc(Br)c1)C1CCCCC1
InChIInChI=1S/C15H21BrFN/c1-11(13-5-3-2-4-6-13)18-10-12-7-14(16)9-15(17)8-12/h7-9,11,13,18H,2-6,10H2,1H3
InChIKeyDSBSXXVFBLKHDR-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.65
Rot. Bonds4

About N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine

N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine (PubChem CID 79710185) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine
PubChem CID79710185
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine
SMILESCC(NCc1cc(F)cc(Br)c1)C1CCCCC1
InChIInChI=1S/C15H21BrFN/c1-11(13-5-3-2-4-6-13)18-10-12-7-14(16)9-15(17)8-12/h7-9,11,13,18H,2-6,10H2,1H3
InChIKeyDSBSXXVFBLKHDR-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-cyclohexyl-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105403256
(1R)-1-cyclohexyl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 81384303
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900
N-[(3-bromo-5-nitrophenyl)methyl]-1-cyclohexylethanamine
CID 103350758
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 63478348
(1S)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580020
(1R)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580046
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromo-5-fluorophenyl)methyl]ethanamine
CID 79710529
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2,6-difluorophenol
CID 81394254
(1S)-1-cycloheptyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 81390721

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine (CID 79710185) is N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine is CC(NCc1cc(F)cc(Br)c1)C1CCCCC1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine?
The InChIKey is DSBSXXVFBLKHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-11(13-5-3-2-4-6-13)18-10-12-7-14(16)9-15(17)8-12/h7-9,11,13,18H,2-6,10H2,1H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine?
N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine has a molecular weight of 314.24 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine is sourced from PubChem (CID 79710185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).