2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine

C15H21NO2 — CID 62801783

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO2/c1-2-16-13-5-3-4-12(13)11-6-7-14-15(10-11)18-9-8-17-14/h6-7,10,12-13,16H,2-5,8-9H2,1H3
InChIKeyAZWARPXEJWZPIS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.70
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine (PubChem CID 62801783) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine
PubChem CID62801783
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO2/c1-2-16-13-5-3-4-12(13)11-6-7-14-15(10-11)18-9-8-17-14/h6-7,10,12-13,16H,2-5,8-9H2,1H3
InChIKeyAZWARPXEJWZPIS-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine
CID 62801780
2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine
CID 104544128
2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine
CID 62802621
2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
CID 55197274
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-ethylcycloheptan-1-amine
CID 115479369
N-ethyl-2-(4-phenylphenyl)cyclopentan-1-amine
CID 65454761
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclopentan-1-amine
CID 104544129
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2,2-triethylcyclobutan-1-amine
CID 81417404
N-ethyl-2-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 63509813
N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine
CID 63511493
N-ethyl-2-quinolin-7-ylcycloheptan-1-amine
CID 81224624
N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]cyclopropanamine
CID 81017961

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine (CID 62801783) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine is CCNC1CCCC1c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine?
The InChIKey is AZWARPXEJWZPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-16-13-5-3-4-12(13)11-6-7-14-15(10-11)18-9-8-17-14/h6-7,10,12-13,16H,2-5,8-9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 62801783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).