1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol

C16H21NO4 — CID 60909460

IUPAC1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OCC(O)CNC(C)c2ccco2)c1
InChIInChI=1S/C16H21NO4/c1-12(16-7-4-8-20-16)17-10-13(18)11-21-15-6-3-5-14(9-15)19-2/h3-9,12-13,17-18H,10-11H2,1-2H3
InChIKeyAGCHZIDYFXLXMM-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.38
Rot. Bonds8

About 1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol

1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol (PubChem CID 60909460) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol
PubChem CID60909460
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol
SMILESCOc1cccc(OCC(O)CNC(C)c2ccco2)c1
InChIInChI=1S/C16H21NO4/c1-12(16-7-4-8-20-16)17-10-13(18)11-21-15-6-3-5-14(9-15)19-2/h3-9,12-13,17-18H,10-11H2,1-2H3
InChIKeyAGCHZIDYFXLXMM-UHFFFAOYSA-N
XLogP2.38
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 81399740
1-(1-hydroxypropan-2-ylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60909725
(2S)-1-[[(2S)-3,3-dimethylbutan-2-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 39826278
1-(3-methoxyphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62841183
1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 81392115
1-(furan-2-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 117246144
4-[2-hydroxy-3-[1-(3-methoxyphenoxy)propan-2-ylamino]propoxy]phenol
CID 70552130
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590
1-(2,2-difluoroethylamino)-3-(3-methoxyphenoxy)propan-2-ol
CID 115406734
1-(3-methoxyphenoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64642037
1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol
CID 54938711
3-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-4-methoxybutan-1-ol
CID 106159850

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol (CID 60909460) is 1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol is COc1cccc(OCC(O)CNC(C)c2ccco2)c1.
What is the InChIKey of 1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol?
The InChIKey is AGCHZIDYFXLXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12(16-7-4-8-20-16)17-10-13(18)11-21-15-6-3-5-14(9-15)19-2/h3-9,12-13,17-18H,10-11H2,1-2H3.
What are the key properties of 1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol?
1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol has a molecular weight of 291.35 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 60909460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).