1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol

C12H18FNO2 — CID 78935976

IUPAC1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol
SMILESC[C@H](N)c1ccc(F)cc1OCC(C)(C)O
InChIInChI=1S/C12H18FNO2/c1-8(14)10-5-4-9(13)6-11(10)16-7-12(2,3)15/h4-6,8,15H,7,14H2,1-3H3/t8-/m0/s1
InChIKeyFGGDCYIBAKJWFV-QMMMGPOBSA-N
MW227.28 g/mol
LogP2.00
Rot. Bonds4

About 1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol

1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol (PubChem CID 78935976) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol
PubChem CID78935976
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol
SMILESC[C@H](N)c1ccc(F)cc1OCC(C)(C)O
InChIInChI=1S/C12H18FNO2/c1-8(14)10-5-4-9(13)6-11(10)16-7-12(2,3)15/h4-6,8,15H,7,14H2,1-3H3/t8-/m0/s1
InChIKeyFGGDCYIBAKJWFV-QMMMGPOBSA-N
XLogP2.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol
CID 63367980
3-[2-(1-aminoethyl)-5-fluorophenoxy]-2,2-dimethylpropanoic acid
CID 79629205
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol
CID 63368001
1-(2-amino-5-fluorophenoxy)-2-methylpropan-2-ol
CID 67395856
(1S)-1-[2-(2,2-difluoro-2-phenylethoxy)-4-fluorophenyl]ethanamine
CID 104893336
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
CID 78936103
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 63066536
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 105402600
(1R)-1-[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 82919188
4-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 65247062
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 63368195

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol (CID 78935976) is 1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol is C[C@H](N)c1ccc(F)cc1OCC(C)(C)O.
What is the InChIKey of 1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol?
The InChIKey is FGGDCYIBAKJWFV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-8(14)10-5-4-9(13)6-11(10)16-7-12(2,3)15/h4-6,8,15H,7,14H2,1-3H3/t8-/m0/s1.
What are the key properties of 1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol?
1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol has a molecular weight of 227.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 78935976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).