2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol

C12H21NO3 — CID 115880051

IUPAC2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol
SMILESCOCc1ccc(CN(CCO)C(C)C)o1
InChIInChI=1S/C12H21NO3/c1-10(2)13(6-7-14)8-11-4-5-12(16-11)9-15-3/h4-5,10,14H,6-9H2,1-3H3
InChIKeyRQMUUJCCQRQHBW-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.63
Rot. Bonds7

About 2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol

2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol (PubChem CID 115880051) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol
PubChem CID115880051
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol
SMILESCOCc1ccc(CN(CCO)C(C)C)o1
InChIInChI=1S/C12H21NO3/c1-10(2)13(6-7-14)8-11-4-5-12(16-11)9-15-3/h4-5,10,14H,6-9H2,1-3H3
InChIKeyRQMUUJCCQRQHBW-UHFFFAOYSA-N
XLogP1.63
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol
CID 115880076
3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol
CID 60965924
2-[[5-(methoxymethyl)furan-2-yl]methylamino]ethanol
CID 12655820
4-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]butanoic acid
CID 60833315
N-ethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-1-methoxypropan-2-amine
CID 62427043
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462162
5-(methoxymethyl)-N-methyl-N-(3-methylbutyl)furan-2-carboxamide
CID 78853341
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 55072533
3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol
CID 115710395
1-[3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60691475
methyl 5-[[(2-amino-2-oxoethyl)-propan-2-ylamino]methyl]furan-2-carboxylate
CID 38561013
5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]furan-2-carboxylic acid
CID 55004839

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol (CID 115880051) is 2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol is COCc1ccc(CN(CCO)C(C)C)o1.
What is the InChIKey of 2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol?
The InChIKey is RQMUUJCCQRQHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10(2)13(6-7-14)8-11-4-5-12(16-11)9-15-3/h4-5,10,14H,6-9H2,1-3H3.
What are the key properties of 2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol?
2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol has a molecular weight of 227.30 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 115880051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).