2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol

C11H16FNO2 — CID 29039036

IUPAC2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
SMILESCOc1ccc([C@H](C)NCCO)cc1F
InChIInChI=1S/C11H16FNO2/c1-8(13-5-6-14)9-3-4-11(15-2)10(12)7-9/h3-4,7-8,13-14H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyGRFWPULZYQMUOT-QMMMGPOBSA-N
MW213.25 g/mol
LogP1.48
Rot. Bonds5

About 2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol

2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol (PubChem CID 29039036) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
PubChem CID29039036
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
SMILESCOc1ccc([C@H](C)NCCO)cc1F
InChIInChI=1S/C11H16FNO2/c1-8(13-5-6-14)9-3-4-11(15-2)10(12)7-9/h3-4,7-8,13-14H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyGRFWPULZYQMUOT-QMMMGPOBSA-N
XLogP1.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
1-(3-fluoro-4-methoxyphenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 60697209
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60697208
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950
N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208198
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine
CID 43100590
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894167
2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol
CID 29038991
1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239724
1-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976045
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 115721453
N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635886

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol?
The IUPAC name of 2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol (CID 29039036) is 2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol?
The canonical SMILES for 2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol is COc1ccc([C@H](C)NCCO)cc1F.
What is the InChIKey of 2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol?
The InChIKey is GRFWPULZYQMUOT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-8(13-5-6-14)9-3-4-11(15-2)10(12)7-9/h3-4,7-8,13-14H,5-6H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol?
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol has a molecular weight of 213.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol is sourced from PubChem (CID 29039036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).