1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine

C17H23NS — CID 115862520

IUPAC1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine
SMILESCCC1CCCCC1C(N)c1csc2ccccc12
InChIInChI=1S/C17H23NS/c1-2-12-7-3-4-8-13(12)17(18)15-11-19-16-10-6-5-9-14(15)16/h5-6,9-13,17H,2-4,7-8,18H2,1H3
InChIKeyUODYHFRKFPFWLK-UHFFFAOYSA-N
MW273.44 g/mol
LogP5.12
Rot. Bonds3

About 1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine

1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine (PubChem CID 115862520) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine
PubChem CID115862520
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine
SMILESCCC1CCCCC1C(N)c1csc2ccccc12
InChIInChI=1S/C17H23NS/c1-2-12-7-3-4-8-13(12)17(18)15-11-19-16-10-6-5-9-14(15)16/h5-6,9-13,17H,2-4,7-8,18H2,1H3
InChIKeyUODYHFRKFPFWLK-UHFFFAOYSA-N
XLogP5.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine
CID 93025479
1-benzothiophen-3-yl-(2-methylcyclopropyl)methanamine
CID 43166668
(S)-1-benzothiophen-3-yl(cyclohexyl)methanamine;hydrochloride
CID 171224599
(S)-1-benzothiophen-3-yl(cyclopropyl)methanamine;hydrochloride
CID 171224597
1-benzothiophen-3-yl-(3,4-dimethylcyclohexyl)methanamine
CID 104989207
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
1-benzothiophen-3-yl(oxolan-3-yl)methanamine
CID 61273197
2-(1-benzothiophen-3-yl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 62699247
3-[bromo(cyclooctyl)methyl]-1-benzothiophene
CID 65020600
(2-ethylcyclohexyl)-(4-methylquinolin-2-yl)methanamine
CID 114755094
1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 43492319
1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine
CID 43485797

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine (CID 115862520) is 1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine is CCC1CCCCC1C(N)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine?
The InChIKey is UODYHFRKFPFWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-2-12-7-3-4-8-13(12)17(18)15-11-19-16-10-6-5-9-14(15)16/h5-6,9-13,17H,2-4,7-8,18H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine?
1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine has a molecular weight of 273.44 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(2-ethylcyclohexyl)methanamine is sourced from PubChem (CID 115862520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).