[1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol

C17H23NOS — CID 79138166

IUPAC[1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol
SMILESCC1CCCC(CN)(C(O)c2csc3ccccc23)C1
InChIInChI=1S/C17H23NOS/c1-12-5-4-8-17(9-12,11-18)16(19)14-10-20-15-7-3-2-6-13(14)15/h2-3,6-7,10,12,16,19H,4-5,8-9,11,18H2,1H3
InChIKeyHRVDFJSZVYQKPP-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.09
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol

[1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol (PubChem CID 79138166) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol
PubChem CID79138166
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name[1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol
SMILESCC1CCCC(CN)(C(O)c2csc3ccccc23)C1
InChIInChI=1S/C17H23NOS/c1-12-5-4-8-17(9-12,11-18)16(19)14-10-20-15-7-3-2-6-13(14)15/h2-3,6-7,10,12,16,19H,4-5,8-9,11,18H2,1H3
InChIKeyHRVDFJSZVYQKPP-UHFFFAOYSA-N
XLogP4.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)oxan-3-yl]-(1-benzothiophen-3-yl)methanol
CID 103716030
[1-(aminomethyl)-3-methylcyclohexyl]-quinolin-4-ylmethanol
CID 79124145
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79138054
[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
CID 65401475
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
[1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol
CID 79134896
1-[1-benzothiophen-3-yl(hydroxy)methyl]-3-ethylcyclopentane-1-carbonitrile
CID 79136460
(S)-[1-(aminomethyl)-3-methylcyclobutyl]-(2-methylphenyl)methanol
CID 97035285
[1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol
CID 79123902
[1-(aminomethyl)-3-methylcyclopentyl]-[2-(difluoromethoxy)phenyl]methanol
CID 79134784
[1-(aminomethyl)-3-methylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102845386
N-(1-benzothiophen-3-ylmethyl)-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030020

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol (CID 79138166) is [1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol is CC1CCCC(CN)(C(O)c2csc3ccccc23)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol?
The InChIKey is HRVDFJSZVYQKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-12-5-4-8-17(9-12,11-18)16(19)14-10-20-15-7-3-2-6-13(14)15/h2-3,6-7,10,12,16,19H,4-5,8-9,11,18H2,1H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol?
[1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol has a molecular weight of 289.44 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclohexyl]-(1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 79138166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).