1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol

C15H15F2NO2 — CID 43554706

IUPAC1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol
SMILESNCc1ccc(C(O)COc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H15F2NO2/c16-13-6-5-12(7-14(13)17)20-9-15(19)11-3-1-10(8-18)2-4-11/h1-7,15,19H,8-9,18H2
InChIKeyGBOABIPOLYDISG-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.54
Rot. Bonds5

About 1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol

1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol (PubChem CID 43554706) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol
PubChem CID43554706
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol
SMILESNCc1ccc(C(O)COc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H15F2NO2/c16-13-6-5-12(7-14(13)17)20-9-15(19)11-3-1-10(8-18)2-4-11/h1-7,15,19H,8-9,18H2
InChIKeyGBOABIPOLYDISG-UHFFFAOYSA-N
XLogP2.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)phenoxy]ethanol
CID 61229094
1-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)ethanol
CID 63877954
2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 109414968
2-(3,4-difluorophenoxy)-1-(2,5-difluorophenyl)ethanol
CID 109414944
2-(3,4-difluorophenoxy)-1-(3-nitrophenyl)ethanol
CID 109414949
2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol
CID 107686254
2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 107675226
[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
CID 43554727
1-[4-(aminomethyl)phenyl]-2-methoxyethanol
CID 43531479
1-[4-(aminomethyl)phenyl]-2-(2,6-dimethylphenoxy)ethanol
CID 43531485
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol
CID 107718100
[4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine
CID 116937056

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol (CID 43554706) is 1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol is NCc1ccc(C(O)COc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol?
The InChIKey is GBOABIPOLYDISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c16-13-6-5-12(7-14(13)17)20-9-15(19)11-3-1-10(8-18)2-4-11/h1-7,15,19H,8-9,18H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol?
1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol has a molecular weight of 279.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol is sourced from PubChem (CID 43554706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).