1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

C18H25NS — CID 104991075

IUPAC1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2cc3ccccc3s2)CC1
InChIInChI=1S/C18H25NS/c1-3-13-8-10-14(11-9-13)18(19-2)17-12-15-6-4-5-7-16(15)20-17/h4-7,12-14,18-19H,3,8-11H2,1-2H3
InChIKeyNICBHRBLXHXJCH-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.38
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 104991075) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
PubChem CID104991075
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2cc3ccccc3s2)CC1
InChIInChI=1S/C18H25NS/c1-3-13-8-10-14(11-9-13)18(19-2)17-12-15-6-4-5-7-16(15)20-17/h4-7,12-14,18-19H,3,8-11H2,1-2H3
InChIKeyNICBHRBLXHXJCH-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine
CID 105027903
1-(4-ethylcyclohexyl)-N-methyl-1-quinolin-2-ylmethanamine
CID 64773812
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
CID 113250231
1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine
CID 115863688
1-(4-ethylcyclohexyl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 104990968
[(4-ethylcyclohexyl)-naphthalen-2-ylmethyl]hydrazine
CID 105213365
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 64774200
[1-(1-benzothiophen-2-yl)-2-cyclopentylethyl]hydrazine
CID 105299057
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 105147269
1-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392502
1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine
CID 114013577
1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol
CID 114910790

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (CID 104991075) is 1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is CCC1CCC(C(NC)c2cc3ccccc3s2)CC1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is NICBHRBLXHXJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-3-13-8-10-14(11-9-13)18(19-2)17-12-15-6-4-5-7-16(15)20-17/h4-7,12-14,18-19H,3,8-11H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine has a molecular weight of 287.47 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 104991075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).