2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol

C15H21NO3 — CID 60713488

IUPAC2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol
SMILESOC1CCCC1NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO3/c17-13-3-1-2-12(13)16-7-6-11-4-5-14-15(10-11)19-9-8-18-14/h4-5,10,12-13,16-17H,1-3,6-9H2
InChIKeyDKOJZUDKLLWTKE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.50
Rot. Bonds4

About 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol

2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol (PubChem CID 60713488) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol
PubChem CID60713488
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol
SMILESOC1CCCC1NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO3/c17-13-3-1-2-12(13)16-7-6-11-4-5-14-15(10-11)19-9-8-18-14/h4-5,10,12-13,16-17H,1-3,6-9H2
InChIKeyDKOJZUDKLLWTKE-UHFFFAOYSA-N
XLogP1.50
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol
CID 102732981
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclohexane-1-carbonitrile
CID 62743130
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)cyclohexan-1-ol
CID 62358859
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 64774317
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclohexan-1-amine
CID 43178290
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylcyclopentan-1-amine
CID 64501434
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol
CID 60886680
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiolan-3-amine
CID 43178288
cis-(1R,2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxycyclohexan-1-amine
CID 7108642
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol
CID 104934379
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol
CID 60886931
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxycyclopentan-1-amine
CID 65446730

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol (CID 60713488) is 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol is OC1CCCC1NCCc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol?
The InChIKey is DKOJZUDKLLWTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-13-3-1-2-12(13)16-7-6-11-4-5-14-15(10-11)19-9-8-18-14/h4-5,10,12-13,16-17H,1-3,6-9H2.
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol?
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol has a molecular weight of 263.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol is sourced from PubChem (CID 60713488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).