2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol

C15H16FNO2 — CID 107686254

IUPAC2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol
SMILESNCc1ccc(OCC(O)c2ccccc2)c(F)c1
InChIInChI=1S/C15H16FNO2/c16-13-8-11(9-17)6-7-15(13)19-10-14(18)12-4-2-1-3-5-12/h1-8,14,18H,9-10,17H2
InChIKeySZAWHNBUSGYIPC-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.40
Rot. Bonds5

About 2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol

2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol (PubChem CID 107686254) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol
PubChem CID107686254
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol
SMILESNCc1ccc(OCC(O)c2ccccc2)c(F)c1
InChIInChI=1S/C15H16FNO2/c16-13-8-11(9-17)6-7-15(13)19-10-14(18)12-4-2-1-3-5-12/h1-8,14,18H,9-10,17H2
InChIKeySZAWHNBUSGYIPC-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-nitrophenoxy]-1-phenylethanol
CID 60880014
3-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 107689805
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923
2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol
CID 79887645
[3-fluoro-4-[(E)-3-phenylprop-2-enoxy]phenyl]methanamine
CID 107686405
1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol
CID 43554706
3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
CID 43152166
5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 115298042
(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 68939021
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
CID 82828276
2-[4-(aminomethyl)-2-fluorophenoxy]acetonitrile
CID 107686306
(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol
CID 130373001

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol?
The IUPAC name of 2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol (CID 107686254) is 2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol?
The canonical SMILES for 2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol is NCc1ccc(OCC(O)c2ccccc2)c(F)c1.
What is the InChIKey of 2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol?
The InChIKey is SZAWHNBUSGYIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-13-8-11(9-17)6-7-15(13)19-10-14(18)12-4-2-1-3-5-12/h1-8,14,18H,9-10,17H2.
What are the key properties of 2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol?
2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol has a molecular weight of 261.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-fluorophenoxy]-1-phenylethanol is sourced from PubChem (CID 107686254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).