1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol

C17H23NO3 — CID 62306419

IUPAC1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol
SMILESCCC(NCC(O)COCc1ccco1)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-2-17(14-7-4-3-5-8-14)18-11-15(19)12-20-13-16-9-6-10-21-16/h3-10,15,17-19H,2,11-13H2,1H3
InChIKeyOGEDNFWIVAZFDE-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.90
Rot. Bonds9

About 1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol

1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol (PubChem CID 62306419) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol
PubChem CID62306419
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol
SMILESCCC(NCC(O)COCc1ccco1)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-2-17(14-7-4-3-5-8-14)18-11-15(19)12-20-13-16-9-6-10-21-16/h3-10,15,17-19H,2,11-13H2,1H3
InChIKeyOGEDNFWIVAZFDE-UHFFFAOYSA-N
XLogP2.90
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
4-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 113376215
1-[[(1S)-1-(4-bromophenyl)ethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 81352394
1-(2,2-dimethylhydrazinyl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 83014158
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
1-(furan-2-ylmethoxy)-3-(4-methylanilino)propan-2-ol
CID 60899568
2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol
CID 61245995
1-(4-methylpentoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62303856
1-(furan-2-ylmethoxy)-3-(pentylamino)propan-2-ol
CID 60633241
1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol
CID 62306251
1-(furan-2-ylmethoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 60649357
1-[[(1S)-1-cycloheptylethyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 81388401

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol (CID 62306419) is 1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol is CCC(NCC(O)COCc1ccco1)c1ccccc1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol?
The InChIKey is OGEDNFWIVAZFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-17(14-7-4-3-5-8-14)18-11-15(19)12-20-13-16-9-6-10-21-16/h3-10,15,17-19H,2,11-13H2,1H3.
What are the key properties of 1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol?
1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-(1-phenylpropylamino)propan-2-ol is sourced from PubChem (CID 62306419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).