2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol

C14H19BrFNO — CID 113261573

IUPAC2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCCC1O)c1ccc(F)cc1Br
InChIInChI=1S/C14H19BrFNO/c1-9(11-7-6-10(16)8-12(11)15)17-13-4-2-3-5-14(13)18/h6-9,13-14,17-18H,2-5H2,1H3
InChIKeyKXERZOCADJDNPS-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.54
Rot. Bonds3

About 2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol

2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol (PubChem CID 113261573) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is 2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol
PubChem CID113261573
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol
SMILESCC(NC1CCCCC1O)c1ccc(F)cc1Br
InChIInChI=1S/C14H19BrFNO/c1-9(11-7-6-10(16)8-12(11)15)17-13-4-2-3-5-14(13)18/h6-9,13-14,17-18H,2-5H2,1H3
InChIKeyKXERZOCADJDNPS-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol
CID 60714831
N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine
CID 103905794
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892417
trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
CID 102733281
trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol
CID 102733815
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81379546
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103786780
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine
CID 103776164
2-[1-[(2-hydroxycyclohexyl)amino]ethyl]-5-methoxyphenol
CID 55064076
N-[1-(2,5-difluorophenyl)ethyl]-2-ethylcyclohexan-1-amine
CID 43709409
2-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclopentan-1-ol
CID 115891343
2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104953223

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol?
The IUPAC name of 2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol (CID 113261573) is 2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol is CC(NC1CCCCC1O)c1ccc(F)cc1Br.
What is the InChIKey of 2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol?
The InChIKey is KXERZOCADJDNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO/c1-9(11-7-6-10(16)8-12(11)15)17-13-4-2-3-5-14(13)18/h6-9,13-14,17-18H,2-5H2,1H3.
What are the key properties of 2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol?
2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol has a molecular weight of 316.21 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 113261573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).