1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine

C16H23NS — CID 79226398

IUPAC1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(N)(CC2CSc3ccccc32)C1
InChIInChI=1S/C16H23NS/c1-2-12-7-8-16(17,9-12)10-13-11-18-15-6-4-3-5-14(13)15/h3-6,12-13H,2,7-11,17H2,1H3
InChIKeyAPUJSZZOVHGBGE-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.17
Rot. Bonds3

About 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine (PubChem CID 79226398) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine
PubChem CID79226398
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(N)(CC2CSc3ccccc32)C1
InChIInChI=1S/C16H23NS/c1-2-12-7-8-16(17,9-12)10-13-11-18-15-6-4-3-5-14(13)15/h3-6,12-13H,2,7-11,17H2,1H3
InChIKeyAPUJSZZOVHGBGE-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methylcyclopentan-1-amine
CID 79226082
3-[(3-chloro-1-methylcyclopentyl)methyl]-2,3-dihydro-1-benzothiophene
CID 116540293
[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 79221230
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79218173
[2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 104509416
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexane-1-carboxylic acid
CID 79226557
3-[(3-ethylcyclohexyl)oxymethyl]-2,3-dihydro-1-benzothiophene
CID 79403707
N-[[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 79215623
3-ethyl-1-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64514568
[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-ethylpiperidin-2-yl]methanamine
CID 103353139
N-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106798004
ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate
CID 19081469

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine (CID 79226398) is 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine is CCC1CCC(N)(CC2CSc3ccccc32)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine?
The InChIKey is APUJSZZOVHGBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-2-12-7-8-16(17,9-12)10-13-11-18-15-6-4-3-5-14(13)15/h3-6,12-13H,2,7-11,17H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine?
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethylcyclopentan-1-amine is sourced from PubChem (CID 79226398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).