3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride

C21H30Cl2N2O2 — CID 66646151

IUPAC3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride
SMILESC[C@H](NC(CN1CCOCC1)C(O)c1ccccc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C21H28N2O2.2ClH/c1-17(18-8-4-2-5-9-18)22-20(16-23-12-14-25-15-13-23)21(24)19-10-6-3-7-11-19;;/h2-11,17,20-22,24H,12-16H2,1H3;2*1H/t17-,20?,21?;;/m0../s1
InChIKeyUZHKZOZRNWBPKG-IMXOCYSMSA-N
MW413.39 g/mol
LogP3.62
Rot. Bonds7

About 3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride

3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride (PubChem CID 66646151) has the molecular formula C21H30Cl2N2O2 and a molecular weight of 413.39 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride
PubChem CID66646151
Molecular FormulaC21H30Cl2N2O2
Molecular Weight413.39 g/mol
Exact Mass412.17
IUPAC Name3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride
SMILESC[C@H](NC(CN1CCOCC1)C(O)c1ccccc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C21H28N2O2.2ClH/c1-17(18-8-4-2-5-9-18)22-20(16-23-12-14-25-15-13-23)21(24)19-10-6-3-7-11-19;;/h2-11,17,20-22,24H,12-16H2,1H3;2*1H/t17-,20?,21?;;/m0../s1
InChIKeyUZHKZOZRNWBPKG-IMXOCYSMSA-N
XLogP3.62
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol
CID 143270163
2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol
CID 56688049
N-[(1R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide;hydrochloride
CID 11957677
N-[(1S,2S)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]hexadecanamide;hydrochloride
CID 133124946
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
(1S)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol;(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(1R)-2-amino-3-morpholin-4-yl-1-phenylpropan-1-ol;N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]decanamide;N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;N-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]hexadecanamide;(1R)-3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;trihydrochloride
CID 157401120
N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43779473
(1S,2S)-1-(4-chlorophenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 911541
2-amino-N-(1-morpholin-4-ylpropan-2-yl)-2-phenylacetamide;dihydrochloride
CID 119851564
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride?
The IUPAC name of 3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride (CID 66646151) is 3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride?
The canonical SMILES for 3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride is C[C@H](NC(CN1CCOCC1)C(O)c1ccccc1)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride?
The InChIKey is UZHKZOZRNWBPKG-IMXOCYSMSA-N. The full InChI is InChI=1S/C21H28N2O2.2ClH/c1-17(18-8-4-2-5-9-18)22-20(16-23-12-14-25-15-13-23)21(24)19-10-6-3-7-11-19;;/h2-11,17,20-22,24H,12-16H2,1H3;2*1H/t17-,20?,21?;;/m0../s1.
What are the key properties of 3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride?
3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride has a molecular weight of 413.39 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride is sourced from PubChem (CID 66646151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).