2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol

C14H15NO4 — CID 111470467

IUPAC2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol
SMILESOCC(NCc1cccc2c1OCO2)c1ccco1
InChIInChI=1S/C14H15NO4/c16-8-11(12-5-2-6-17-12)15-7-10-3-1-4-13-14(10)19-9-18-13/h1-6,11,15-16H,7-9H2
InChIKeyJZIBEWIDPXDCSK-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.83
Rot. Bonds5

About 2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol

2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol (PubChem CID 111470467) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol
PubChem CID111470467
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol
SMILESOCC(NCc1cccc2c1OCO2)c1ccco1
InChIInChI=1S/C14H15NO4/c16-8-11(12-5-2-6-17-12)15-7-10-3-1-4-13-14(10)19-9-18-13/h1-6,11,15-16H,7-9H2
InChIKeyJZIBEWIDPXDCSK-UHFFFAOYSA-N
XLogP1.83
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(1,3-benzodioxol-4-ylmethylamino)propan-1-ol
CID 93187645
2-(1,3-benzodioxol-4-ylmethylamino)-3-methylbutan-1-ol
CID 79254249
N-(1,3-benzodioxol-4-ylmethyl)-1-phenylpropan-1-amine
CID 61213022
1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine
CID 43583250
N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethylbutan-2-amine
CID 115623154
2-(1,3-benzodioxol-4-ylmethylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 107850799
(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propan-1-ol
CID 93187642
2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
CID 111470567
N-(1,3-benzodioxol-4-ylmethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871455
3-(1,3-benzodioxol-4-ylmethylamino)butanamide
CID 115676498
5-(1,3-benzodioxol-4-ylmethylamino)-2-methylpentan-1-ol
CID 103859505
N-(1,3-benzodioxol-4-ylmethyl)-1-cyclopentylethanamine
CID 62634107

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol?
The IUPAC name of 2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol (CID 111470467) is 2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol.
What is the SMILES notation for 2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol?
The canonical SMILES for 2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol is OCC(NCc1cccc2c1OCO2)c1ccco1.
What is the InChIKey of 2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol?
The InChIKey is JZIBEWIDPXDCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-8-11(12-5-2-6-17-12)15-7-10-3-1-4-13-14(10)19-9-18-13/h1-6,11,15-16H,7-9H2.
What are the key properties of 2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol?
2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol has a molecular weight of 261.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol is sourced from PubChem (CID 111470467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).