2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol

C14H22BrNOS — CID 79066491

IUPAC2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
SMILESCN(C)C1(C(O)Cc2cc(Br)cs2)CCCCC1
InChIInChI=1S/C14H22BrNOS/c1-16(2)14(6-4-3-5-7-14)13(17)9-12-8-11(15)10-18-12/h8,10,13,17H,3-7,9H2,1-2H3
InChIKeyQJIVNSDLMOMAMB-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.68
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol

2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol (PubChem CID 79066491) has the molecular formula C14H22BrNOS and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
PubChem CID79066491
Molecular FormulaC14H22BrNOS
Molecular Weight332.31 g/mol
Exact Mass331.06
IUPAC Name2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
SMILESCN(C)C1(C(O)Cc2cc(Br)cs2)CCCCC1
InChIInChI=1S/C14H22BrNOS/c1-16(2)14(6-4-3-5-7-14)13(17)9-12-8-11(15)10-18-12/h8,10,13,17H,3-7,9H2,1-2H3
InChIKeyQJIVNSDLMOMAMB-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol
CID 104610489
2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753085
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710510
1-[2-(4-bromothiophen-2-yl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452373
2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79061363
2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79074487
2-(3-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066042
1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol
CID 79066048
1-[1-(dimethylamino)cyclopentyl]-2-phenylethanol
CID 79067226
1-[1-(dimethylamino)cycloheptyl]-2-(2-methylphenyl)ethanol
CID 79074275
2-(3,4-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 82920040
2-(3,4-dichlorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066196

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol (CID 79066491) is 2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol is CN(C)C1(C(O)Cc2cc(Br)cs2)CCCCC1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The InChIKey is QJIVNSDLMOMAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNOS/c1-16(2)14(6-4-3-5-7-14)13(17)9-12-8-11(15)10-18-12/h8,10,13,17H,3-7,9H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol has a molecular weight of 332.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol is sourced from PubChem (CID 79066491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).