(1S)-1-[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol

C14H16FNO2 — CID 55183376

IUPAC(1S)-1-[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)Cc2ccoc2)c(F)c1
InChIInChI=1S/C14H16FNO2/c1-10(17)12-3-4-14(13(15)7-12)16(2)8-11-5-6-18-9-11/h3-7,9-10,17H,8H2,1-2H3/t10-/m0/s1
InChIKeyRAMHYWDEZRNWGB-JTQLQIEISA-N
MW249.29 g/mol
LogP3.11
Rot. Bonds4

About (1S)-1-[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol

(1S)-1-[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol (PubChem CID 55183376) has the molecular formula C14H16FNO2 and a molecular weight of 249.29 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol
PubChem CID55183376
Molecular FormulaC14H16FNO2
Molecular Weight249.29 g/mol
Exact Mass249.12
IUPAC Name(1S)-1-[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)Cc2ccoc2)c(F)c1
InChIInChI=1S/C14H16FNO2/c1-10(17)12-3-4-14(13(15)7-12)16(2)8-11-5-6-18-9-11/h3-7,9-10,17H,8H2,1-2H3/t10-/m0/s1
InChIKeyRAMHYWDEZRNWGB-JTQLQIEISA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol (CID 55183376) is (1S)-1-[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol is C[C@H](O)c1ccc(N(C)Cc2ccoc2)c(F)c1.
What is the InChIKey of (1S)-1-[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol?
The InChIKey is RAMHYWDEZRNWGB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16FNO2/c1-10(17)12-3-4-14(13(15)7-12)16(2)8-11-5-6-18-9-11/h3-7,9-10,17H,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol?
(1S)-1-[3-fluoro-4-[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 (1S)-1-[3-fluoro-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol is sourced from PubChem (CID 55183376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).