2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol

C15H16FNO2 — CID 107711745

IUPAC2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol
SMILESNCc1cc(F)cc(Oc2ccccc2CCO)c1
InChIInChI=1S/C15H16FNO2/c16-13-7-11(10-17)8-14(9-13)19-15-4-2-1-3-12(15)5-6-18/h1-4,7-9,18H,5-6,10,17H2
InChIKeyFYPRZIXEBMPATF-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.61
Rot. Bonds5

About 2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol

2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol (PubChem CID 107711745) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol
PubChem CID107711745
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol
SMILESNCc1cc(F)cc(Oc2ccccc2CCO)c1
InChIInChI=1S/C15H16FNO2/c16-13-7-11(10-17)8-14(9-13)19-15-4-2-1-3-12(15)5-6-18/h1-4,7-9,18H,5-6,10,17H2
InChIKeyFYPRZIXEBMPATF-UHFFFAOYSA-N
XLogP2.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]ethanol
CID 107711711
[2-[3-(aminomethyl)phenoxy]phenyl]methanol
CID 63942730
[2-(3-bromo-5-fluorophenoxy)phenyl]methanol
CID 81331819
[2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol
CID 63654481
2-[2-[[4-(aminomethyl)phenyl]methoxy]phenyl]ethanol
CID 107712248
2-[2-[2-(aminomethyl)-4-methylphenoxy]phenyl]ethanol
CID 107926570
2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid
CID 140512656
2-[2-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol
CID 107711772
2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 106533374
[3-fluoro-5-(4-fluoro-2-nitrophenoxy)phenyl]methanamine
CID 106531299
[3-(2,3-difluorophenoxy)-5-fluorophenyl]methanol
CID 106530200
2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol
CID 107712095

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol (CID 107711745) is 2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol is NCc1cc(F)cc(Oc2ccccc2CCO)c1.
What is the InChIKey of 2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol?
The InChIKey is FYPRZIXEBMPATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-13-7-11(10-17)8-14(9-13)19-15-4-2-1-3-12(15)5-6-18/h1-4,7-9,18H,5-6,10,17H2.
What are the key properties of 2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol?
2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol has a molecular weight of 261.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol is sourced from PubChem (CID 107711745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).