2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine

C18H25NS — CID 63737228

IUPAC2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1csc2ccccc12
InChIInChI=1S/C18H25NS/c1-3-19-17-9-8-13(2)10-14(17)11-15-12-20-18-7-5-4-6-16(15)18/h4-7,12-14,17,19H,3,8-11H2,1-2H3
InChIKeyCHWDNLUIESXVFN-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.86
Rot. Bonds4

About 2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine

2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 63737228) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID63737228
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Cc1csc2ccccc12
InChIInChI=1S/C18H25NS/c1-3-19-17-9-8-13(2)10-14(17)11-15-12-20-18-7-5-4-6-16(15)18/h4-7,12-14,17,19H,3,8-11H2,1-2H3
InChIKeyCHWDNLUIESXVFN-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64907706
2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63737915
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63403222
2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 102856558
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]-4-methylcyclohexan-1-amine
CID 105372334
2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 55188048
2-[(3,5-difluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 105404538
N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81033729
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 63484507
2-(1-benzothiophen-3-yl)-1-(3-methylcyclohexyl)ethanamine
CID 55231284
3-(1-benzothiophen-3-ylmethyl)cyclohexan-1-ol
CID 64516278
[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
CID 65401475

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine (CID 63737228) is 2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is CHWDNLUIESXVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-3-19-17-9-8-13(2)10-14(17)11-15-12-20-18-7-5-4-6-16(15)18/h4-7,12-14,17,19H,3,8-11H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine?
2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 63737228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).