[3-(3-fluorophenoxy)phenyl]methanamine hydroxide

C13H13FNO2- — CID 86649819

IUPAC[3-(3-fluorophenoxy)phenyl]methanamine hydroxide
SMILESNCc1cccc(Oc2cccc(F)c2)c1.[OH-]
InChIInChI=1S/C13H12FNO.H2O/c14-11-4-2-6-13(8-11)16-12-5-1-3-10(7-12)9-15;/h1-8H,9,15H2;1H2/p-1
InChIKeyJXMLJFOYAYYASD-UHFFFAOYSA-M
MW234.25 g/mol
LogP2.90
Rot. Bonds3

About [3-(3-fluorophenoxy)phenyl]methanamine hydroxide

[3-(3-fluorophenoxy)phenyl]methanamine hydroxide (PubChem CID 86649819) has the molecular formula C13H13FNO2- and a molecular weight of 234.25 g/mol. Its IUPAC name is [3-(3-fluorophenoxy)phenyl]methanamine hydroxide.

Molecular Properties

Compound Name[3-(3-fluorophenoxy)phenyl]methanamine hydroxide
PubChem CID86649819
Molecular FormulaC13H13FNO2-
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name[3-(3-fluorophenoxy)phenyl]methanamine hydroxide
SMILESNCc1cccc(Oc2cccc(F)c2)c1.[OH-]
InChIInChI=1S/C13H12FNO.H2O/c14-11-4-2-6-13(8-11)16-12-5-1-3-10(7-12)9-15;/h1-8H,9,15H2;1H2/p-1
InChIKeyJXMLJFOYAYYASD-UHFFFAOYSA-M
XLogP2.90
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
CID 28966240
[3-(3-fluorophenoxy)phenyl]methanol
CID 13255235
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid
CID 140512656
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110
[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
[3-(3-ethynylphenoxy)phenyl]methanamine chloride
CID 158188538
[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43254100
4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile
CID 106485841
1-[3-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63943526

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenoxy)phenyl]methanamine hydroxide?
The IUPAC name of [3-(3-fluorophenoxy)phenyl]methanamine hydroxide (CID 86649819) is [3-(3-fluorophenoxy)phenyl]methanamine hydroxide.
What is the SMILES notation for [3-(3-fluorophenoxy)phenyl]methanamine hydroxide?
The canonical SMILES for [3-(3-fluorophenoxy)phenyl]methanamine hydroxide is NCc1cccc(Oc2cccc(F)c2)c1.[OH-].
What is the InChIKey of [3-(3-fluorophenoxy)phenyl]methanamine hydroxide?
The InChIKey is JXMLJFOYAYYASD-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12FNO.H2O/c14-11-4-2-6-13(8-11)16-12-5-1-3-10(7-12)9-15;/h1-8H,9,15H2;1H2/p-1.
What are the key properties of [3-(3-fluorophenoxy)phenyl]methanamine hydroxide?
[3-(3-fluorophenoxy)phenyl]methanamine hydroxide has a molecular weight of 234.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenoxy)phenyl]methanamine hydroxide is sourced from PubChem (CID 86649819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).