(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol

C17H28N2O3 — CID 95330936

IUPAC(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol
SMILESCN(C)C[C@@H]1CN(C[C@H](O)COCc2ccccc2)CCO1
InChIInChI=1S/C17H28N2O3/c1-18(2)11-17-12-19(8-9-22-17)10-16(20)14-21-13-15-6-4-3-5-7-15/h3-7,16-17,20H,8-14H2,1-2H3/t16-,17+/m0/s1
InChIKeyYUKYWKABRJISOK-DLBZAZTESA-N
MW308.42 g/mol
LogP0.83
Rot. Bonds8

About (2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol

(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol (PubChem CID 95330936) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol
PubChem CID95330936
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol
SMILESCN(C)C[C@@H]1CN(C[C@H](O)COCc2ccccc2)CCO1
InChIInChI=1S/C17H28N2O3/c1-18(2)11-17-12-19(8-9-22-17)10-16(20)14-21-13-15-6-4-3-5-7-15/h3-7,16-17,20H,8-14H2,1-2H3/t16-,17+/m0/s1
InChIKeyYUKYWKABRJISOK-DLBZAZTESA-N
XLogP0.83
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol with MolForge

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Related Compounds

(2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol
CID 95332227
1-[2-(aminomethyl)morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 114398972
N-cyclopentyl-N-[[4-(2-hydroxy-3-phenylmethoxypropyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862417
(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 129425639
1-[2-(2-fluorophenyl)morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 110929071
4-[(2S)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-hydroxypropoxy]benzonitrile
CID 95322904
N-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 99732164
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol
CID 60761061
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol (CID 95330936) is (2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol is CN(C)C[C@@H]1CN(C[C@H](O)COCc2ccccc2)CCO1.
What is the InChIKey of (2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol?
The InChIKey is YUKYWKABRJISOK-DLBZAZTESA-N. The full InChI is InChI=1S/C17H28N2O3/c1-18(2)11-17-12-19(8-9-22-17)10-16(20)14-21-13-15-6-4-3-5-7-15/h3-7,16-17,20H,8-14H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol?
(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol has a molecular weight of 308.42 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 95330936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).