2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine

C17H23NS — CID 55231284

IUPAC2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine
SMILESCC1CCCC(C(N)Cc2csc3ccccc23)C1
InChIInChI=1S/C17H23NS/c1-12-5-4-6-13(9-12)16(18)10-14-11-19-17-8-3-2-7-15(14)17/h2-3,7-8,11-13,16H,4-6,9-10,18H2,1H3
InChIKeySJGWKXNDUDOOOM-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.60
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine

2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine (PubChem CID 55231284) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine
PubChem CID55231284
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine
SMILESCC1CCCC(C(N)Cc2csc3ccccc23)C1
InChIInChI=1S/C17H23NS/c1-12-5-4-6-13(9-12)16(18)10-14-11-19-17-8-3-2-7-15(14)17/h2-3,7-8,11-13,16H,4-6,9-10,18H2,1H3
InChIKeySJGWKXNDUDOOOM-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424756
2-(1-benzothiophen-3-yl)-1-(2-methylcyclopropyl)ethanamine
CID 65420177
2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65423179
2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
CID 65330130
1-(3-methylcyclopentyl)-2-naphthalen-1-ylethanamine
CID 65413962
3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569750
1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105116551
4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine
CID 64505583
[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
CID 65401475
2-(2,5-dichlorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65321480
2-(4-iodophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 65477706
2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine
CID 63738834

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine (CID 55231284) is 2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine is CC1CCCC(C(N)Cc2csc3ccccc23)C1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine?
The InChIKey is SJGWKXNDUDOOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-12-5-4-6-13(9-12)16(18)10-14-11-19-17-8-3-2-7-15(14)17/h2-3,7-8,11-13,16H,4-6,9-10,18H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine?
2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine has a molecular weight of 273.44 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 55231284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).