2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]ethanol

C14H20N2O3 — CID 54996171

IUPAC2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]ethanol
SMILESNc1cc2c(cc1CN(CCO)C1CC1)OCCO2
InChIInChI=1S/C14H20N2O3/c15-12-8-14-13(18-5-6-19-14)7-10(12)9-16(3-4-17)11-1-2-11/h7-8,11,17H,1-6,9,15H2
InChIKeyKOLIPAQLUIUKIN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.00
Rot. Bonds5

About 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]ethanol

2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]ethanol (PubChem CID 54996171) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]ethanol
PubChem CID54996171
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]ethanol
SMILESNc1cc2c(cc1CN(CCO)C1CC1)OCCO2
InChIInChI=1S/C14H20N2O3/c15-12-8-14-13(18-5-6-19-14)7-10(12)9-16(3-4-17)11-1-2-11/h7-8,11,17H,1-6,9,15H2
InChIKeyKOLIPAQLUIUKIN-UHFFFAOYSA-N
XLogP1.00
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-[[cycloheptyl(methyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43613817
2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 54995976
4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102860411
2-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-methylamino]ethanol
CID 43167700
3-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]propan-1-ol
CID 66115186
7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 107397347
2-[cyclopropyl-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]amino]ethanol
CID 110935869
2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol
CID 102679435
2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 64768267
3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578786
2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 60510272
2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol
CID 102680065

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]ethanol?
The IUPAC name of 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]ethanol (CID 54996171) is 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]ethanol is Nc1cc2c(cc1CN(CCO)C1CC1)OCCO2.
What is the InChIKey of 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]ethanol?
The InChIKey is KOLIPAQLUIUKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12-8-14-13(18-5-6-19-14)7-10(12)9-16(3-4-17)11-1-2-11/h7-8,11,17H,1-6,9,15H2.
What are the key properties of 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]ethanol?
2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]ethanol has a molecular weight of 264.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]ethanol is sourced from PubChem (CID 54996171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).