2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol

C12H19NO2 — CID 7311097

IUPAC2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol
SMILESCO[C@H](c1ccccc1)[C@H](C)NCCO
InChIInChI=1S/C12H19NO2/c1-10(13-8-9-14)12(15-2)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t10-,12-/m0/s1
InChIKeyCKNGVACMCYSSFS-JQWIXIFHSA-N
MW209.29 g/mol
LogP1.34
Rot. Bonds6

About 2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol

2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol (PubChem CID 7311097) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol
PubChem CID7311097
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol
SMILESCO[C@H](c1ccccc1)[C@H](C)NCCO
InChIInChI=1S/C12H19NO2/c1-10(13-8-9-14)12(15-2)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t10-,12-/m0/s1
InChIKeyCKNGVACMCYSSFS-JQWIXIFHSA-N
XLogP1.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773234
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
1-methoxy-1-phenylbutan-2-ol
CID 116756893
(1R,2S)-1-methoxy-1-phenyl-N-triphenylsilylpropan-2-amine
CID 102215132
(2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol
CID 102517713
methyl (2S)-2-[[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]amino]butanoate
CID 100984979
3-methoxy-2-methyl-3-phenylpropanenitrile
CID 174515240
1-methoxy-6-methyl-1-phenylheptan-2-ol
CID 116756994
methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3-methylbutanoate
CID 10752293
2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid
CID 160914011
2-[2-[(1R,2S)-2-(benzylamino)-1-phenylpropoxy]ethoxy]ethanol
CID 102206695
1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine
CID 116773236

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol?
The IUPAC name of 2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol (CID 7311097) is 2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol?
The canonical SMILES for 2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol is CO[C@H](c1ccccc1)[C@H](C)NCCO.
What is the InChIKey of 2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol?
The InChIKey is CKNGVACMCYSSFS-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(13-8-9-14)12(15-2)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of 2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol?
2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol is sourced from PubChem (CID 7311097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).