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

C10H14FNO2 — CID 107718833

IUPAC2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
SMILESC[C@H](N)c1ccc(OCCO)cc1F
InChIInChI=1S/C10H14FNO2/c1-7(12)9-3-2-8(6-10(9)11)14-5-4-13/h2-3,6-7,13H,4-5,12H2,1H3/t7-/m0/s1
InChIKeyDGMUTCIKBHHICI-ZETCQYMHSA-N
MW199.22 g/mol
LogP1.22
Rot. Bonds4

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

2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol (PubChem CID 107718833) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
PubChem CID107718833
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
SMILESC[C@H](N)c1ccc(OCCO)cc1F
InChIInChI=1S/C10H14FNO2/c1-7(12)9-3-2-8(6-10(9)11)14-5-4-13/h2-3,6-7,13H,4-5,12H2,1H3/t7-/m0/s1
InChIKeyDGMUTCIKBHHICI-ZETCQYMHSA-N
XLogP1.22
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
4-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-2-methylbutan-2-ol
CID 107718883
(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
CID 107718481
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
1-(2-fluoro-4-heptoxyphenyl)ethanamine
CID 107715824
4-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]butanenitrile
CID 107718107
(1R)-1-[4-(4,4-dimethylpentoxy)-2-fluorophenyl]ethanamine
CID 114209341
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394
1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol
CID 107718953
(1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine
CID 107718914
1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 107715807
(1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 107718203

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol?
The IUPAC name of 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol (CID 107718833) is 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol.
What is the SMILES notation for 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol?
The canonical SMILES for 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol is C[C@H](N)c1ccc(OCCO)cc1F.
What is the InChIKey of 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol?
The InChIKey is DGMUTCIKBHHICI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-7(12)9-3-2-8(6-10(9)11)14-5-4-13/h2-3,6-7,13H,4-5,12H2,1H3/t7-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol?
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol has a molecular weight of 199.22 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol is sourced from PubChem (CID 107718833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).