[4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol

C14H14FNO2 — CID 61227389

IUPAC[4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol
SMILESNCc1ccc(Oc2ccc(CO)cc2)c(F)c1
InChIInChI=1S/C14H14FNO2/c15-13-7-11(8-16)3-6-14(13)18-12-4-1-10(9-17)2-5-12/h1-7,17H,8-9,16H2
InChIKeyXSKKICVJDAATQA-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.57
Rot. Bonds4

About [4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol

[4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol (PubChem CID 61227389) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is [4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol
PubChem CID61227389
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name[4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol
SMILESNCc1ccc(Oc2ccc(CO)cc2)c(F)c1
InChIInChI=1S/C14H14FNO2/c15-13-7-11(8-16)3-6-14(13)18-12-4-1-10(9-17)2-5-12/h1-7,17H,8-9,16H2
InChIKeyXSKKICVJDAATQA-UHFFFAOYSA-N
XLogP2.57
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-phenoxyphenyl)methanol
CID 28946102
[4-[4-(ethylaminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61228377
[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine
CID 28966135
[4-(3,5-difluorophenoxy)-3-fluorophenyl]methanol
CID 55112239
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
CID 28966240
[4-(4-bromo-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 65201220
[4-(4-chloro-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 82716427
[4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol
CID 54898336
[4-(2,3-dihydro-1H-inden-5-yloxy)-3-fluorophenyl]methanamine
CID 28966366
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol
CID 28946122
3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
CID 43152166
[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
CID 62074951

Frequently Asked Questions

What is the IUPAC name of [4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol?
The IUPAC name of [4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol (CID 61227389) is [4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol.
What is the SMILES notation for [4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol?
The canonical SMILES for [4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol is NCc1ccc(Oc2ccc(CO)cc2)c(F)c1.
What is the InChIKey of [4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol?
The InChIKey is XSKKICVJDAATQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-13-7-11(8-16)3-6-14(13)18-12-4-1-10(9-17)2-5-12/h1-7,17H,8-9,16H2.
What are the key properties of [4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol?
[4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol has a molecular weight of 247.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol is sourced from PubChem (CID 61227389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).