2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol

C13H14FNO2 — CID 111470567

IUPAC2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
SMILESOCC(NCc1cccc(F)c1)c1ccco1
InChIInChI=1S/C13H14FNO2/c14-11-4-1-3-10(7-11)8-15-12(9-16)13-5-2-6-17-13/h1-7,12,15-16H,8-9H2
InChIKeyIMSLHBQQLMSQAD-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.24
Rot. Bonds5

About 2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol

2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol (PubChem CID 111470567) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
PubChem CID111470567
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
SMILESOCC(NCc1cccc(F)c1)c1ccco1
InChIInChI=1S/C13H14FNO2/c14-11-4-1-3-10(7-11)8-15-12(9-16)13-5-2-6-17-13/h1-7,12,15-16H,8-9H2
InChIKeyIMSLHBQQLMSQAD-UHFFFAOYSA-N
XLogP2.24
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
CID 99850577
2-(furan-2-yl)-2-[(3-pyridin-4-ylphenyl)methylamino]ethanol
CID 111478435
2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-2-(furan-2-yl)ethanol
CID 111470598
3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448702
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
5-[[[1-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-2-methoxybenzonitrile
CID 111470533
2-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 63016663
(2R)-2-acetamido-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)acetamide
CID 25031587
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
4-bromo-2-[[[1-(furan-2-yl)-2-hydroxyethyl]amino]methyl]phenol
CID 111470423

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol?
The IUPAC name of 2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol (CID 111470567) is 2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol?
The canonical SMILES for 2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol is OCC(NCc1cccc(F)c1)c1ccco1.
What is the InChIKey of 2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol?
The InChIKey is IMSLHBQQLMSQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-11-4-1-3-10(7-11)8-15-12(9-16)13-5-2-6-17-13/h1-7,12,15-16H,8-9H2.
What are the key properties of 2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol?
2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol has a molecular weight of 235.26 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol is sourced from PubChem (CID 111470567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).