1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol

C13H21NO3 — CID 113429693

IUPAC1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol
SMILESCC1(CNCC(O)c2ccco2)CCOCC1
InChIInChI=1S/C13H21NO3/c1-13(4-7-16-8-5-13)10-14-9-11(15)12-3-2-6-17-12/h2-3,6,11,14-15H,4-5,7-10H2,1H3
InChIKeyKVBSEZVQKXCKLY-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.72
Rot. Bonds5

About 1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol

1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol (PubChem CID 113429693) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol
PubChem CID113429693
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol
SMILESCC1(CNCC(O)c2ccco2)CCOCC1
InChIInChI=1S/C13H21NO3/c1-13(4-7-16-8-5-13)10-14-9-11(15)12-3-2-6-17-12/h2-3,6,11,14-15H,4-5,7-10H2,1H3
InChIKeyKVBSEZVQKXCKLY-UHFFFAOYSA-N
XLogP1.72
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol
CID 115454702
1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol
CID 65120971
2-[(2,2-dimethylcyclopropyl)amino]-1-(furan-2-yl)ethanol
CID 61223910
1-cyclopropyl-2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]ethanol
CID 63296627
1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol
CID 106546957
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901417
1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol
CID 103878951
1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol
CID 107165971
4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106133141
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide
CID 110011674
1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol
CID 60969452
3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
CID 103743628

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol (CID 113429693) is 1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol is CC1(CNCC(O)c2ccco2)CCOCC1.
What is the InChIKey of 1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol?
The InChIKey is KVBSEZVQKXCKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(4-7-16-8-5-13)10-14-9-11(15)12-3-2-6-17-12/h2-3,6,11,14-15H,4-5,7-10H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol?
1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol has a molecular weight of 239.31 g/mol, XLogP of 1.72, 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-[(4-methyloxan-4-yl)methylamino]ethanol is sourced from PubChem (CID 113429693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).