1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol

C16H21NO3 — CID 110898147

IUPAC1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
SMILESCOc1ccccc1CC(C)NCC(O)c1ccco1
InChIInChI=1S/C16H21NO3/c1-12(10-13-6-3-4-7-15(13)19-2)17-11-14(18)16-8-5-9-20-16/h3-9,12,14,17-18H,10-11H2,1-2H3
InChIKeyWENNKOQYQCEIRJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.54
Rot. Bonds7

About 1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol

1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol (PubChem CID 110898147) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
PubChem CID110898147
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
SMILESCOc1ccccc1CC(C)NCC(O)c1ccco1
InChIInChI=1S/C16H21NO3/c1-12(10-13-6-3-4-7-15(13)19-2)17-11-14(18)16-8-5-9-20-16/h3-9,12,14,17-18H,10-11H2,1-2H3
InChIKeyWENNKOQYQCEIRJ-UHFFFAOYSA-N
XLogP2.54
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
CID 70006145
1-(furan-2-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanol
CID 106261262
2-[1-(2-methoxyphenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
CID 103785255
2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol
CID 18628145
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
1-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 106259587
(1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
CID 97160729
(1R)-2-[[(1R)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229543
(1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229540
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 110888253

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol (CID 110898147) is 1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol is COc1ccccc1CC(C)NCC(O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol?
The InChIKey is WENNKOQYQCEIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(10-13-6-3-4-7-15(13)19-2)17-11-14(18)16-8-5-9-20-16/h3-9,12,14,17-18H,10-11H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol?
1-(furan-2-yl)-2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol has a molecular weight of 275.35 g/mol, XLogP of 2.54, 7 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-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol is sourced from PubChem (CID 110898147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).