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

C16H23NS — CID 79221352

IUPAC2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CC1CSc2ccccc21
InChIInChI=1S/C16H23NS/c1-2-17-15-8-5-6-12(15)10-13-11-18-16-9-4-3-7-14(13)16/h3-4,7,9,12-13,15,17H,2,5-6,8,10-11H2,1H3
InChIKeyDNDASWAUWKOXGQ-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.04
Rot. Bonds4

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

2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine (PubChem CID 79221352) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine
PubChem CID79221352
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CC1CSc2ccccc21
InChIInChI=1S/C16H23NS/c1-2-17-15-8-5-6-12(15)10-13-11-18-16-9-4-3-7-14(13)16/h3-4,7,9,12-13,15,17H,2,5-6,8,10-11H2,1H3
InChIKeyDNDASWAUWKOXGQ-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine
CID 79221501
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 79229011
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylcycloheptan-1-amine
CID 79220706
3-[(4-bromothiolan-3-yl)methyl]-2,3-dihydro-1-benzothiophene
CID 83190532
3-[(1-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzothiophene
CID 79214566
[2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexyl]methanamine
CID 81009769
N-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopentan-1-amine
CID 63771818
3-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzothiophene
CID 79214672
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine
CID 79221788
3-[(5-tert-butyl-2-chlorocyclohexyl)methyl]-2,3-dihydro-1-benzothiophene
CID 79214670
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-methylpyrrolidine
CID 178102510
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine (CID 79221352) is 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine is CCNC1CCCC1CC1CSc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine?
The InChIKey is DNDASWAUWKOXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-2-17-15-8-5-6-12(15)10-13-11-18-16-9-4-3-7-14(13)16/h3-4,7,9,12-13,15,17H,2,5-6,8,10-11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine?
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 79221352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).