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

C17H25NS — CID 79223818

IUPAC3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(CC2Cc3ccccc3S2)C1C
InChIInChI=1S/C17H25NS/c1-3-18-16-9-8-13(12(16)2)10-15-11-14-6-4-5-7-17(14)19-15/h4-7,12-13,15-16,18H,3,8-11H2,1-2H3
InChIKeyMRYDBHFFMDCPTG-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.12
Rot. Bonds4

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

3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine (PubChem CID 79223818) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine
PubChem CID79223818
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCNC1CCC(CC2Cc3ccccc3S2)C1C
InChIInChI=1S/C17H25NS/c1-3-18-16-9-8-13(12(16)2)10-15-11-14-6-4-5-7-17(14)19-15/h4-7,12-13,15-16,18H,3,8-11H2,1-2H3
InChIKeyMRYDBHFFMDCPTG-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 79229011
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol
CID 79224580
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine
CID 83196720
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine
CID 79227445
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 81013247
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81027517
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol
CID 79227348
[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81012673
2-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 83148506
2-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzothiophene
CID 79227947
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79229061

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine (CID 79223818) is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine is CCNC1CCC(CC2Cc3ccccc3S2)C1C.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is MRYDBHFFMDCPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-3-18-16-9-8-13(12(16)2)10-15-11-14-6-4-5-7-17(14)19-15/h4-7,12-13,15-16,18H,3,8-11H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine?
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 79223818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).