2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol

C11H19NO3 — CID 106186826

IUPAC2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NC(C)Cc1ccco1
InChIInChI=1S/C11H19NO3/c1-9(6-11-4-3-5-15-11)12-10(7-13)8-14-2/h3-5,9-10,12-13H,6-8H2,1-2H3
InChIKeyWJQLAPHFFKTSFR-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.81
Rot. Bonds7

About 2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol

2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol (PubChem CID 106186826) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol
PubChem CID106186826
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NC(C)Cc1ccco1
InChIInChI=1S/C11H19NO3/c1-9(6-11-4-3-5-15-11)12-10(7-13)8-14-2/h3-5,9-10,12-13H,6-8H2,1-2H3
InChIKeyWJQLAPHFFKTSFR-UHFFFAOYSA-N
XLogP0.81
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol
CID 114210422
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
(2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol
CID 104926136
N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 103924689
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 81352005
1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine
CID 106209160
methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate
CID 15638338
1-(furan-2-yl)-N-[1-(1-methylcyclopropyl)ethyl]propan-2-amine
CID 43693033
1-N,1-N-diethyl-2-N-[1-(furan-2-yl)propan-2-yl]propane-1,2-diamine
CID 55179779
2-[1-(furan-2-yl)propan-2-ylamino]butanamide
CID 62899658
1-N-[1-(furan-2-yl)propan-2-yl]-5-methoxypentane-1,2-diamine
CID 81102507
1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine
CID 43692929

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol (CID 106186826) is 2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol is COCC(CO)NC(C)Cc1ccco1.
What is the InChIKey of 2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol?
The InChIKey is WJQLAPHFFKTSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(6-11-4-3-5-15-11)12-10(7-13)8-14-2/h3-5,9-10,12-13H,6-8H2,1-2H3.
What are the key properties of 2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol?
2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol has a molecular weight of 213.28 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106186826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).