2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol

C17H19NO3 — CID 61046179

IUPAC2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
SMILESOCC(NCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H19NO3/c19-12-15(18-11-13-4-2-1-3-5-13)14-6-7-16-17(10-14)21-9-8-20-16/h1-7,10,15,18-19H,8-9,11-12H2
InChIKeyCUFWNOUPPIANGO-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.28
Rot. Bonds5

About 2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol

2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol (PubChem CID 61046179) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol.

Molecular Properties

Compound Name2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
PubChem CID61046179
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
SMILESOCC(NCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H19NO3/c19-12-15(18-11-13-4-2-1-3-5-13)14-6-7-16-17(10-14)21-9-8-20-16/h1-7,10,15,18-19H,8-9,11-12H2
InChIKeyCUFWNOUPPIANGO-UHFFFAOYSA-N
XLogP2.28
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61046992
1-(1,3-benzodioxol-5-yl)-N-benzylethane-1,2-diamine
CID 65383583
(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylethanol
CID 107862523
2-(benzylamino)-2-(4-chlorophenyl)ethanol
CID 61046547
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(naphthalen-2-ylmethyl)propan-1-amine
CID 97025846
N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43757036
2-(2-chloroanilino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61047739
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-phenylbutan-1-amine
CID 17156616
2-(benzylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;ethane;methanol
CID 145298385
(2R)-2-[[4-(difluoromethyl)phenyl]methylamino]-2-phenylethanol
CID 104709077
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 95445608
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 64813643

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The IUPAC name of 2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol (CID 61046179) is 2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol.
What is the SMILES notation for 2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The canonical SMILES for 2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol is OCC(NCc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
The InChIKey is CUFWNOUPPIANGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-12-15(18-11-13-4-2-1-3-5-13)14-6-7-16-17(10-14)21-9-8-20-16/h1-7,10,15,18-19H,8-9,11-12H2.
What are the key properties of 2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol?
2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol has a molecular weight of 285.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol is sourced from PubChem (CID 61046179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).