(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol

C12H18FNO2 — CID 103906609

IUPAC(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
SMILESCOc1ccc(C(C)NC[C@H](C)O)c(F)c1
InChIInChI=1S/C12H18FNO2/c1-8(15)7-14-9(2)11-5-4-10(16-3)6-12(11)13/h4-6,8-9,14-15H,7H2,1-3H3/t8-,9?/m0/s1
InChIKeyUTTSFKKNRCTSSK-IENPIDJESA-N
MW227.28 g/mol
LogP1.87
Rot. Bonds5

About (2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol

(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol (PubChem CID 103906609) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is (2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
PubChem CID103906609
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
SMILESCOc1ccc(C(C)NC[C@H](C)O)c(F)c1
InChIInChI=1S/C12H18FNO2/c1-8(15)7-14-9(2)11-5-4-10(16-3)6-12(11)13/h4-6,8-9,14-15H,7H2,1-3H3/t8-,9?/m0/s1
InChIKeyUTTSFKKNRCTSSK-IENPIDJESA-N
XLogP1.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
CID 113492017
1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103778620
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 55108756
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006
(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 65103428
4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906152
N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 60894649
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62993210
1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol
CID 110897338

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol?
The IUPAC name of (2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol (CID 103906609) is (2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol is COc1ccc(C(C)NC[C@H](C)O)c(F)c1.
What is the InChIKey of (2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol?
The InChIKey is UTTSFKKNRCTSSK-IENPIDJESA-N. The full InChI is InChI=1S/C12H18FNO2/c1-8(15)7-14-9(2)11-5-4-10(16-3)6-12(11)13/h4-6,8-9,14-15H,7H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of (2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol?
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol has a molecular weight of 227.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 103906609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).