1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol

C14H23NO4 — CID 114756661

IUPAC1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
SMILESOCCC1(CNCC(O)COCc2ccco2)CC1
InChIInChI=1S/C14H23NO4/c16-6-5-14(3-4-14)11-15-8-12(17)9-18-10-13-2-1-7-19-13/h1-2,7,12,15-17H,3-6,8-11H2
InChIKeyOPXQVYCIIFHHSA-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.91
Rot. Bonds10

About 1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol

1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol (PubChem CID 114756661) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
PubChem CID114756661
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol
SMILESOCCC1(CNCC(O)COCc2ccco2)CC1
InChIInChI=1S/C14H23NO4/c16-6-5-14(3-4-14)11-15-8-12(17)9-18-10-13-2-1-7-19-13/h1-2,7,12,15-17H,3-6,8-11H2
InChIKeyOPXQVYCIIFHHSA-UHFFFAOYSA-N
XLogP0.91
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]methyl]-2-methyloxolan-3-ol
CID 106101114
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
1-[2-(dimethylamino)ethylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60635601
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 93381179
1-[3-(diethylamino)propylamino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 60634350
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
1-(furan-2-ylmethoxy)-3-(4-iodoanilino)propan-2-ol
CID 60901372
1-(furan-2-ylmethoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 114186259
1-(furan-2-ylmethoxy)-3-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62848280
1-(furan-2-ylmethoxy)-3-[(2-methylcyclopropyl)amino]propan-2-ol
CID 62397757

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol (CID 114756661) is 1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol is OCCC1(CNCC(O)COCc2ccco2)CC1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol?
The InChIKey is OPXQVYCIIFHHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-6-5-14(3-4-14)11-15-8-12(17)9-18-10-13-2-1-7-19-13/h1-2,7,12,15-17H,3-6,8-11H2.
What are the key properties of 1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol?
1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol has a molecular weight of 269.34 g/mol, XLogP of 0.91, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]propan-2-ol is sourced from PubChem (CID 114756661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).