1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol

C12H19NO2 — CID 78953875

IUPAC1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
SMILESCOCC(O)CN[C@H](C)c1ccccc1
InChIInChI=1S/C12H19NO2/c1-10(11-6-4-3-5-7-11)13-8-12(14)9-15-2/h3-7,10,12-14H,8-9H2,1-2H3/t10-,12?/m1/s1
InChIKeyISCLEVVFSIXCLY-RWANSRKNSA-N
MW209.29 g/mol
LogP1.34
Rot. Bonds6

About 1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol

1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol (PubChem CID 78953875) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
PubChem CID78953875
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
SMILESCOCC(O)CN[C@H](C)c1ccccc1
InChIInChI=1S/C12H19NO2/c1-10(11-6-4-3-5-7-11)13-8-12(14)9-15-2/h3-7,10,12-14H,8-9H2,1-2H3/t10-,12?/m1/s1
InChIKeyISCLEVVFSIXCLY-RWANSRKNSA-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

1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81348369
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564
(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7025078
1-[[(1S)-1-(3-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81381420
1-chloro-3-(1-phenylethylamino)propan-2-ol
CID 14089777
1-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81383910
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
(2S)-1-[(S)-(4-methylphenyl)-phenylmethoxy]-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7934702
1-cyclopentyloxy-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 55251514
1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 63930265

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol (CID 78953875) is 1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol is COCC(O)CN[C@H](C)c1ccccc1.
What is the InChIKey of 1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The InChIKey is ISCLEVVFSIXCLY-RWANSRKNSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(11-6-4-3-5-7-11)13-8-12(14)9-15-2/h3-7,10,12-14H,8-9H2,1-2H3/t10-,12?/m1/s1.
What are the key properties of 1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol 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 1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol is sourced from PubChem (CID 78953875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).