1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol

C14H16FNO3 — CID 112510911

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol
SMILESCOc1ccc(C(O)CNCc2ccco2)cc1F
InChIInChI=1S/C14H16FNO3/c1-18-14-5-4-10(7-12(14)15)13(17)9-16-8-11-3-2-6-19-11/h2-7,13,16-17H,8-9H2,1H3
InChIKeyWVPPFRGXZUHXQL-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.25
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol

1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol (PubChem CID 112510911) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol
PubChem CID112510911
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol
SMILESCOc1ccc(C(O)CNCc2ccco2)cc1F
InChIInChI=1S/C14H16FNO3/c1-18-14-5-4-10(7-12(14)15)13(17)9-16-8-11-3-2-6-19-11/h2-7,13,16-17H,8-9H2,1H3
InChIKeyWVPPFRGXZUHXQL-UHFFFAOYSA-N
XLogP2.25
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine
CID 24704421
1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112501576
1-(3-fluoro-4-methoxyphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515412
2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
CID 82314079
2-(furan-2-ylmethylamino)-1-(4-methylsulfonylphenyl)ethanol
CID 60901127
(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol
CID 25363046
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol
CID 60909290
N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 65433242
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61082269
(2R)-1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 7221655

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol (CID 112510911) is 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol is COc1ccc(C(O)CNCc2ccco2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol?
The InChIKey is WVPPFRGXZUHXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-18-14-5-4-10(7-12(14)15)13(17)9-16-8-11-3-2-6-19-11/h2-7,13,16-17H,8-9H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol?
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol has a molecular weight of 265.28 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol is sourced from PubChem (CID 112510911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).