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

C14H19NO3 — CID 60886931

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol
SMILESOC1CCCCC1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO3/c16-12-4-2-1-3-11(12)15-10-5-6-13-14(9-10)18-8-7-17-13/h5-6,9,11-12,15-16H,1-4,7-8H2
InChIKeyXBXNAVXRESMIHI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.17
Rot. Bonds2

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

2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol (PubChem CID 60886931) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol
PubChem CID60886931
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol
SMILESOC1CCCCC1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO3/c16-12-4-2-1-3-11(12)15-10-5-6-13-14(9-10)18-8-7-17-13/h5-6,9,11-12,15-16H,1-4,7-8H2
InChIKeyXBXNAVXRESMIHI-UHFFFAOYSA-N
XLogP2.17
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.17
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)cyclopentan-1-ol
CID 60886680
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
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)cyclohexan-1-ol
CID 62358859
N-(oxan-4-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43608361
trans-(1S,2S)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]cyclopentan-1-ol
CID 102732981
trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol
CID 102731527
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
2-(4-aminoanilino)cyclohexan-1-ol
CID 62358477
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R,2S)-2-methylcyclohexyl]oxamide
CID 7411340

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol (CID 60886931) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol is OC1CCCCC1Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol?
The InChIKey is XBXNAVXRESMIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-12-4-2-1-3-11(12)15-10-5-6-13-14(9-10)18-8-7-17-13/h5-6,9,11-12,15-16H,1-4,7-8H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol?
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclohexan-1-ol has a molecular weight of 249.31 g/mol, XLogP of 2.17, 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)cyclohexan-1-ol is sourced from PubChem (CID 60886931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).