1-[5-fluoro-2-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol

C14H16FNO2 — CID 61422600

IUPAC1-[5-fluoro-2-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol
SMILESCC(O)c1cc(F)ccc1N(C)Cc1ccoc1
InChIInChI=1S/C14H16FNO2/c1-10(17)13-7-12(15)3-4-14(13)16(2)8-11-5-6-18-9-11/h3-7,9-10,17H,8H2,1-2H3
InChIKeyMNRMAVMYZCDGTQ-UHFFFAOYSA-N
MW249.29 g/mol
LogP3.11
Rot. Bonds4

About 1-[5-fluoro-2-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol

1-[5-fluoro-2-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol (PubChem CID 61422600) has the molecular formula C14H16FNO2 and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[5-fluoro-2-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol
PubChem CID61422600
Molecular FormulaC14H16FNO2
Molecular Weight249.29 g/mol
Exact Mass249.12
IUPAC Name1-[5-fluoro-2-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol
SMILESCC(O)c1cc(F)ccc1N(C)Cc1ccoc1
InChIInChI=1S/C14H16FNO2/c1-10(17)13-7-12(15)3-4-14(13)16(2)8-11-5-6-18-9-11/h3-7,9-10,17H,8H2,1-2H3
InChIKeyMNRMAVMYZCDGTQ-UHFFFAOYSA-N
XLogP3.11
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol (CID 61422600) is 1-[5-fluoro-2-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol is CC(O)c1cc(F)ccc1N(C)Cc1ccoc1.
What is the InChIKey of 1-[5-fluoro-2-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol?
The InChIKey is MNRMAVMYZCDGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-10(17)13-7-12(15)3-4-14(13)16(2)8-11-5-6-18-9-11/h3-7,9-10,17H,8H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol?
1-[5-fluoro-2-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol has a molecular weight of 249.29 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol is sourced from PubChem (CID 61422600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).