[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol

C14H22BrNOS — CID 106042522

IUPAC[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESOCC1(CNCCc2ccc(Br)s2)CCCCC1
InChIInChI=1S/C14H22BrNOS/c15-13-5-4-12(18-13)6-9-16-10-14(11-17)7-2-1-3-8-14/h4-5,16-17H,1-3,6-11H2
InChIKeyAWYASPPXSDDXSN-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.59
Rot. Bonds6

About [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol

[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 106042522) has the molecular formula C14H22BrNOS and a molecular weight of 332.31 g/mol. Its IUPAC name is [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol
PubChem CID106042522
Molecular FormulaC14H22BrNOS
Molecular Weight332.31 g/mol
Exact Mass331.06
IUPAC Name[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESOCC1(CNCCc2ccc(Br)s2)CCCCC1
InChIInChI=1S/C14H22BrNOS/c15-13-5-4-12(18-13)6-9-16-10-14(11-17)7-2-1-3-8-14/h4-5,16-17H,1-3,6-11H2
InChIKeyAWYASPPXSDDXSN-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115243640
4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 115701308
[1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol
CID 115247094
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine
CID 63507818
[1-[[(5-bromothiophen-2-yl)amino]methyl]cyclobutyl]methanol
CID 115246696
3-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]oxetane-3-carboxylic acid
CID 115248512
[1-[[2-(furan-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412953
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66023790
N-[2-(5-bromothiophen-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907117
2-(5-bromothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 106047186
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 63507825

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol (CID 106042522) is [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol is OCC1(CNCCc2ccc(Br)s2)CCCCC1.
What is the InChIKey of [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is AWYASPPXSDDXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNOS/c15-13-5-4-12(18-13)6-9-16-10-14(11-17)7-2-1-3-8-14/h4-5,16-17H,1-3,6-11H2.
What are the key properties of [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol?
[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 332.31 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 106042522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).