[2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol

C14H13F2NO2 — CID 63654481

IUPAC[2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol
SMILESNCc1cc(F)c(Oc2ccccc2CO)c(F)c1
InChIInChI=1S/C14H13F2NO2/c15-11-5-9(7-17)6-12(16)14(11)19-13-4-2-1-3-10(13)8-18/h1-6,18H,7-8,17H2
InChIKeyRXHSBKPCXWVKGX-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.71
Rot. Bonds4

About [2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol

[2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol (PubChem CID 63654481) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is [2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol
PubChem CID63654481
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name[2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol
SMILESNCc1cc(F)c(Oc2ccccc2CO)c(F)c1
InChIInChI=1S/C14H13F2NO2/c15-11-5-9(7-17)6-12(16)14(11)19-13-4-2-1-3-10(13)8-18/h1-6,18H,7-8,17H2
InChIKeyRXHSBKPCXWVKGX-UHFFFAOYSA-N
XLogP2.71
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-difluoro-4-(2-methylphenoxy)phenyl]methanamine
CID 63077891
[2-[3-(aminomethyl)phenoxy]phenyl]methanol
CID 63942730
[3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine
CID 63077707
[4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077057
[2-(2-amino-3,5-difluorophenoxy)phenyl]methanol
CID 113325423
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene
CID 63565884
[4-(2,4-dibromophenoxy)-3,5-difluorophenyl]methanamine
CID 64720890
1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63802310
2-[2-[3-(aminomethyl)-5-fluorophenoxy]phenyl]ethanol
CID 107711745
[2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol
CID 116736523
[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol
CID 104831942

Frequently Asked Questions

What is the IUPAC name of [2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol?
The IUPAC name of [2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol (CID 63654481) is [2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol.
What is the SMILES notation for [2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol?
The canonical SMILES for [2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol is NCc1cc(F)c(Oc2ccccc2CO)c(F)c1.
What is the InChIKey of [2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol?
The InChIKey is RXHSBKPCXWVKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c15-11-5-9(7-17)6-12(16)14(11)19-13-4-2-1-3-10(13)8-18/h1-6,18H,7-8,17H2.
What are the key properties of [2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol?
[2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol has a molecular weight of 265.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol is sourced from PubChem (CID 63654481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).