2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol

C16H23BrFNO — CID 79066042

IUPAC2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
SMILESCN(C)C1(C(O)Cc2ccc(F)c(Br)c2)CCCCC1
InChIInChI=1S/C16H23BrFNO/c1-19(2)16(8-4-3-5-9-16)15(20)11-12-6-7-14(18)13(17)10-12/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3
InChIKeyBNCSGAVEXPARFK-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.76
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol

2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol (PubChem CID 79066042) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
PubChem CID79066042
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
SMILESCN(C)C1(C(O)Cc2ccc(F)c(Br)c2)CCCCC1
InChIInChI=1S/C16H23BrFNO/c1-19(2)16(8-4-3-5-9-16)15(20)11-12-6-7-14(18)13(17)10-12/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3
InChIKeyBNCSGAVEXPARFK-UHFFFAOYSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 82920040
1-[2-(3-bromo-4-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103451976
2-(2-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066492
2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066196
1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol
CID 79066048
1-[1-(dimethylamino)cyclopentyl]-2-phenylethanol
CID 79067226
2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79063369
2-(3-bromo-4-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 65390212
2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066491
2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755187
2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol
CID 64986950
2-(3,4-difluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755817

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol (CID 79066042) is 2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol is CN(C)C1(C(O)Cc2ccc(F)c(Br)c2)CCCCC1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The InChIKey is BNCSGAVEXPARFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-19(2)16(8-4-3-5-9-16)15(20)11-12-6-7-14(18)13(17)10-12/h6-7,10,15,20H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol has a molecular weight of 344.27 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol is sourced from PubChem (CID 79066042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).