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

C13H21NO2 — CID 78954638

IUPAC1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
SMILESCCOCC(O)CN[C@H](C)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-3-16-10-13(15)9-14-11(2)12-7-5-4-6-8-12/h4-8,11,13-15H,3,9-10H2,1-2H3/t11-,13?/m1/s1
InChIKeyKIFOQLRKKDPAIJ-JTDNENJMSA-N
MW223.32 g/mol
LogP1.73
Rot. Bonds7

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

1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol (PubChem CID 78954638) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
PubChem CID78954638
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
SMILESCCOCC(O)CN[C@H](C)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-3-16-10-13(15)9-14-11(2)12-7-5-4-6-8-12/h4-8,11,13-15H,3,9-10H2,1-2H3/t11-,13?/m1/s1
InChIKeyKIFOQLRKKDPAIJ-JTDNENJMSA-N
XLogP1.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564
1-ethoxy-3-(2-phenylpropylamino)propan-2-ol
CID 113430199
1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 63934503
N-[3-[1-[(3-ethoxy-2-hydroxypropyl)amino]ethyl]phenyl]acetamide
CID 63931523
1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 81348053
ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate
CID 103230788
1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110904741
1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
CID 60746287
1-chloro-3-(1-phenylethylamino)propan-2-ol
CID 14089777
(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7025078

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol (CID 78954638) is 1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol is CCOCC(O)CN[C@H](C)c1ccccc1.
What is the InChIKey of 1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
The InChIKey is KIFOQLRKKDPAIJ-JTDNENJMSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-16-10-13(15)9-14-11(2)12-7-5-4-6-8-12/h4-8,11,13-15H,3,9-10H2,1-2H3/t11-,13?/m1/s1.
What are the key properties of 1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol?
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol is sourced from PubChem (CID 78954638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).