1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol

C9H15NO3 — CID 82216576

IUPAC1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCN(CCO)CC(O)c1ccco1
InChIInChI=1S/C9H15NO3/c1-10(4-5-11)7-8(12)9-3-2-6-13-9/h2-3,6,8,11-12H,4-5,7H2,1H3
InChIKeyCJHOCUNMFIOCKV-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.24
Rot. Bonds5

About 1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol

1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol (PubChem CID 82216576) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol
PubChem CID82216576
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol
SMILESCN(CCO)CC(O)c1ccco1
InChIInChI=1S/C9H15NO3/c1-10(4-5-11)7-8(12)9-3-2-6-13-9/h2-3,6,8,11-12H,4-5,7H2,1H3
InChIKeyCJHOCUNMFIOCKV-UHFFFAOYSA-N
XLogP0.24
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(furan-2-yl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216587
3-(dimethylamino)-1-(furan-2-yl)-2-methylpropan-1-ol
CID 175069867
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
(1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol
CID 11957999
2-[2-hydroxyethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217026
1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773
1-(furan-2-yl)pentane-1,3,4-triol
CID 175602784
(1R,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975775
2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322
3-chloro-1-(furan-2-yl)propan-1-ol
CID 77242319

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol (CID 82216576) is 1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol is CN(CCO)CC(O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
The InChIKey is CJHOCUNMFIOCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-10(4-5-11)7-8(12)9-3-2-6-13-9/h2-3,6,8,11-12H,4-5,7H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol?
1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol has a molecular weight of 185.22 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[2-hydroxyethyl(methyl)amino]ethanol is sourced from PubChem (CID 82216576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).