[2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol

C18H25NOS — CID 106359765

IUPAC[2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol
SMILESCc1c(C(C)NC2CCCCC2CO)sc2ccccc12
InChIInChI=1S/C18H25NOS/c1-12-15-8-4-6-10-17(15)21-18(12)13(2)19-16-9-5-3-7-14(16)11-20/h4,6,8,10,13-14,16,19-20H,3,5,7,9,11H2,1-2H3
InChIKeyXXFMTQYENNWYKD-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.41
Rot. Bonds4

About [2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol

[2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol (PubChem CID 106359765) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is [2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol
PubChem CID106359765
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name[2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol
SMILESCc1c(C(C)NC2CCCCC2CO)sc2ccccc12
InChIInChI=1S/C18H25NOS/c1-12-15-8-4-6-10-17(15)21-18(12)13(2)19-16-9-5-3-7-14(16)11-20/h4,6,8,10,13-14,16,19-20H,3,5,7,9,11H2,1-2H3
InChIKeyXXFMTQYENNWYKD-UHFFFAOYSA-N
XLogP4.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-Benzothiophen-2-ylmethyl)piperidin-4-yl]-1-[(1-ethylpyrrolidin-2-yl)methylamino]propan-1-ol
CID 162671968
2-(1-Benzothiophen-3-ylmethylamino)-1-phenylethanol
CID 2826154
2-(1-Benzothiophen-2-ylmethylamino)-2-methylpropane-1,3-diol
CID 84600330
[(2S*,4R*,5R*)-5-(2-fluorophenyl)-1-methyl-4-({[(2-methyl-1-benzothien-3-yl)methyl]amino}methyl)-2-pyrrolidinyl]methanol
CID 133132612
(2S)-4-(3,5-difluorophenyl)-1-[[1-(5-propan-2-ylthiophen-2-yl)cyclohexyl]amino]butan-2-ol
CID 143083258
2-(1-Benzothiophen-6-yl)-2-fluoro-3-(methylamino)butan-1-ol
CID 169866296
2-(1-Benzothiophen-6-yl)-3-(ethylamino)-2-fluorobutan-1-ol
CID 169866333
2-(1-Benzothiophen-5-yl)-3-(ethylamino)-2-fluorobutan-1-ol
CID 169916872
(2R)-2-[(5-methylthiophen-2-yl)methylamino]-2-phenylethanol
CID 83304955
N-benzyl-4-{2-(3-methoxyprop-1-yn-1-yl)-benzo-[b]thiophen-3-yl}but-3-yn-1-amine
CID 132281488
(2R)-2-[[5-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]thiophen-2-yl]methylamino]-2-phenylethanol
CID 135031141
(2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol
CID 10570189

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol?
The IUPAC name of [2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol (CID 106359765) is [2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol is Cc1c(C(C)NC2CCCCC2CO)sc2ccccc12.
What is the InChIKey of [2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol?
The InChIKey is XXFMTQYENNWYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-12-15-8-4-6-10-17(15)21-18(12)13(2)19-16-9-5-3-7-14(16)11-20/h4,6,8,10,13-14,16,19-20H,3,5,7,9,11H2,1-2H3.
What are the key properties of [2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol?
[2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol has a molecular weight of 303.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 106359765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).