(2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol

C18H30N2O3 — CID 99718231

IUPAC(2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
SMILESCOC[C@@H](Cc1ccccc1)NC[C@@](C)(O)CN1CCOCC1
InChIInChI=1S/C18H30N2O3/c1-18(21,15-20-8-10-23-11-9-20)14-19-17(13-22-2)12-16-6-4-3-5-7-16/h3-7,17,19,21H,8-15H2,1-2H3/t17-,18-/m1/s1
InChIKeyDPIFAGWSMYFDRL-QZTJIDSGSA-N
MW322.45 g/mol
LogP0.92
Rot. Bonds9

About (2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol

(2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol (PubChem CID 99718231) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
PubChem CID99718231
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name(2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
SMILESCOC[C@@H](Cc1ccccc1)NC[C@@](C)(O)CN1CCOCC1
InChIInChI=1S/C18H30N2O3/c1-18(21,15-20-8-10-23-11-9-20)14-19-17(13-22-2)12-16-6-4-3-5-7-16/h3-7,17,19,21H,8-15H2,1-2H3/t17-,18-/m1/s1
InChIKeyDPIFAGWSMYFDRL-QZTJIDSGSA-N
XLogP0.92
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-methoxy-N-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]propanamide
CID 95621536
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CID 111468245
(2R)-2-(2-morpholin-4-ylethylamino)-3-phenylpropan-1-ol
CID 66961586
1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide
CID 95971967
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 111520008
2-methyl-1-morpholin-4-yl-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol
CID 110019108
2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol
CID 111468279
1-(furan-2-ylmethylamino)-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 111468223
1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 111468348
1-ethyl-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111658322
1-ethyl-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111657933
2-methyl-1-morpholin-4-yl-3-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]propan-2-ol
CID 71855462

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol (CID 99718231) is (2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol is COC[C@@H](Cc1ccccc1)NC[C@@](C)(O)CN1CCOCC1.
What is the InChIKey of (2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The InChIKey is DPIFAGWSMYFDRL-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-18(21,15-20-8-10-23-11-9-20)14-19-17(13-22-2)12-16-6-4-3-5-7-16/h3-7,17,19,21H,8-15H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
(2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol has a molecular weight of 322.45 g/mol, XLogP of 0.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2R)-1-methoxy-3-phenylpropan-2-yl]amino]-2-methyl-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 99718231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).