(2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol

C17H27ClN2O3 — CID 95332227

IUPAC(2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol
SMILESCN(C)C[C@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C17H27ClN2O3/c1-19(2)10-17-11-20(7-8-23-17)9-16(21)13-22-12-14-3-5-15(18)6-4-14/h3-6,16-17,21H,7-13H2,1-2H3/t16-,17-/m0/s1
InChIKeyLVMPCUAKXFVWFJ-IRXDYDNUSA-N
MW342.87 g/mol
LogP1.48
Rot. Bonds8

About (2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol

(2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol (PubChem CID 95332227) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is (2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol
PubChem CID95332227
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name(2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol
SMILESCN(C)C[C@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C17H27ClN2O3/c1-19(2)10-17-11-20(7-8-23-17)9-16(21)13-22-12-14-3-5-15(18)6-4-14/h3-6,16-17,21H,7-13H2,1-2H3/t16-,17-/m0/s1
InChIKeyLVMPCUAKXFVWFJ-IRXDYDNUSA-N
XLogP1.48
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 95330936
1-[2-(aminomethyl)morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 114398972
(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 129425639
1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 2770344
(1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
CID 95322001
4-[(2S)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-hydroxypropoxy]benzonitrile
CID 95322904
N-cyclopentyl-N-[[4-(2-hydroxy-3-phenylmethoxypropyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862417
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95332208
(3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide
CID 2560282
N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 110898038
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 110929071
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol (CID 95332227) is (2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol is CN(C)C[C@H]1CN(C[C@H](O)COCc2ccc(Cl)cc2)CCO1.
What is the InChIKey of (2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol?
The InChIKey is LVMPCUAKXFVWFJ-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H27ClN2O3/c1-19(2)10-17-11-20(7-8-23-17)9-16(21)13-22-12-14-3-5-15(18)6-4-14/h3-6,16-17,21H,7-13H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol?
(2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol has a molecular weight of 342.87 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol is sourced from PubChem (CID 95332227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).