4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol

C14H22BrNOS — CID 115239944

IUPAC4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol
SMILESCN(CCc1cc(Br)cs1)CC1CCC(O)CC1
InChIInChI=1S/C14H22BrNOS/c1-16(7-6-14-8-12(15)10-18-14)9-11-2-4-13(17)5-3-11/h8,10-11,13,17H,2-7,9H2,1H3
InChIKeyQGUPOINXMHHUFP-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.54
Rot. Bonds5

About 4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol

4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol (PubChem CID 115239944) has the molecular formula C14H22BrNOS and a molecular weight of 332.31 g/mol. Its IUPAC name is 4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol
PubChem CID115239944
Molecular FormulaC14H22BrNOS
Molecular Weight332.31 g/mol
Exact Mass331.06
IUPAC Name4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol
SMILESCN(CCc1cc(Br)cs1)CC1CCC(O)CC1
InChIInChI=1S/C14H22BrNOS/c1-16(7-6-14-8-12(15)10-18-14)9-11-2-4-13(17)5-3-11/h8,10-11,13,17H,2-7,9H2,1H3
InChIKeyQGUPOINXMHHUFP-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

[4-(4-bromothiophen-2-yl)-1-[(E)-pent-2-enyl]pyrrolidin-3-yl]methanol;ethene
CID 143198971
[(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 30842680
[(3S)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 30842683
{1-[(4-Bromothiophen-2-yl)methyl]piperidin-3-yl}methanol
CID 45927374
2-[[(4-Bromothiophen-2-yl)methyl-methylamino]methyl]cycloheptan-1-ol
CID 55094344
1-[[(4-Bromothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 61519019
[1-[[(4-Bromothiophen-2-yl)methyl-methylamino]methyl]cyclohexyl]methanol
CID 62266682
2-[1-[(4-Bromothiophen-2-yl)methyl]piperidin-3-yl]ethanol
CID 62355787
2-[[(4-Bromothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 62609576
2-[[(4-Bromothiophen-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol
CID 62609577
2-[[(4-Bromothiophen-2-yl)methyl-methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 62609749
2-[[(4-Bromothiophen-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 62609750

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol (CID 115239944) is 4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol is CN(CCc1cc(Br)cs1)CC1CCC(O)CC1.
What is the InChIKey of 4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol?
The InChIKey is QGUPOINXMHHUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNOS/c1-16(7-6-14-8-12(15)10-18-14)9-11-2-4-13(17)5-3-11/h8,10-11,13,17H,2-7,9H2,1H3.
What are the key properties of 4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol?
4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol has a molecular weight of 332.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115239944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).