2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol

C13H17NO3 — CID 60886680

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol
SMILESOC1CCCC1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H17NO3/c15-11-3-1-2-10(11)14-9-4-5-12-13(8-9)17-7-6-16-12/h4-5,8,10-11,14-15H,1-3,6-7H2
InChIKeyBDKXBAZPDNLEJP-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.78
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol

2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol (PubChem CID 60886680) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol
PubChem CID60886680
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol
SMILESOC1CCCC1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C13H17NO3/c15-11-3-1-2-10(11)14-9-4-5-12-13(8-9)17-7-6-16-12/h4-5,8,10-11,14-15H,1-3,6-7H2
InChIKeyBDKXBAZPDNLEJP-UHFFFAOYSA-N
XLogP1.78
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol
CID 60886931
trans-(1S,2S)-2-(1,3-benzodioxol-5-ylamino)cyclohexan-1-ol
CID 102730964
N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193591
trans-(1S,2S)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]cyclopentan-1-ol
CID 102732980
N-(8-tricyclo[5.2.1.02,6]decanyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43503174
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]cyclopentan-1-ol
CID 60713488
trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol
CID 102732999
N-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193592
N-(4-propan-2-ylcycloheptyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 65087519
2-(1,3-benzodioxol-5-ylamino)cyclopentane-1-carbonitrile
CID 62741289
N-(oxan-4-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43608361

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol (CID 60886680) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol is OC1CCCC1Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol?
The InChIKey is BDKXBAZPDNLEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-11-3-1-2-10(11)14-9-4-5-12-13(8-9)17-7-6-16-12/h4-5,8,10-11,14-15H,1-3,6-7H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol?
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol has a molecular weight of 235.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 60886680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).