[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol

C15H16FNO2 — CID 78938263

IUPAC[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol
SMILESC[C@H](N)c1c(F)cccc1Oc1ccc(CO)cc1
InChIInChI=1S/C15H16FNO2/c1-10(17)15-13(16)3-2-4-14(15)19-12-7-5-11(9-18)6-8-12/h2-8,10,18H,9,17H2,1H3/t10-/m0/s1
InChIKeyWDPUGULRWJZXJB-JTQLQIEISA-N
MW261.30 g/mol
LogP3.13
Rot. Bonds4

About [4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol

[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol (PubChem CID 78938263) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is [4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol
PubChem CID78938263
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol
SMILESC[C@H](N)c1c(F)cccc1Oc1ccc(CO)cc1
InChIInChI=1S/C15H16FNO2/c1-10(17)15-13(16)3-2-4-14(15)19-12-7-5-11(9-18)6-8-12/h2-8,10,18H,9,17H2,1H3/t10-/m0/s1
InChIKeyWDPUGULRWJZXJB-JTQLQIEISA-N
XLogP3.13
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(1-aminoethyl)-3-fluorophenoxy]phenyl]acetonitrile
CID 43189143
1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 107665361
[4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol
CID 55182628
(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine
CID 30058518
(1R)-1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanamine
CID 63369973
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
(1R)-1-[2-(3-chloro-4-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 63879513
(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine
CID 63369876
1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986975
1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine
CID 63802336
(1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol
CID 78944883
2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol
CID 107712758

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol?
The IUPAC name of [4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol (CID 78938263) is [4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol.
What is the SMILES notation for [4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol?
The canonical SMILES for [4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol is C[C@H](N)c1c(F)cccc1Oc1ccc(CO)cc1.
What is the InChIKey of [4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol?
The InChIKey is WDPUGULRWJZXJB-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10(17)15-13(16)3-2-4-14(15)19-12-7-5-11(9-18)6-8-12/h2-8,10,18H,9,17H2,1H3/t10-/m0/s1.
What are the key properties of [4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol?
[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol has a molecular weight of 261.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol is sourced from PubChem (CID 78938263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).