1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol

C18H31N3O2 — CID 111755508

IUPAC1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol
SMILESCC(NCC(O)CN(C)C)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H31N3O2/c1-15(19-13-17(22)14-20(2)3)18(16-7-5-4-6-8-16)21-9-11-23-12-10-21/h4-8,15,17-19,22H,9-14H2,1-3H3
InChIKeyDPODDMYSRXBPSX-UHFFFAOYSA-N
MW321.46 g/mol
LogP0.96
Rot. Bonds8

About 1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol

1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol (PubChem CID 111755508) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol
PubChem CID111755508
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC Name1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol
SMILESCC(NCC(O)CN(C)C)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H31N3O2/c1-15(19-13-17(22)14-20(2)3)18(16-7-5-4-6-8-16)21-9-11-23-12-10-21/h4-8,15,17-19,22H,9-14H2,1-3H3
InChIKeyDPODDMYSRXBPSX-UHFFFAOYSA-N
XLogP0.96
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine
CID 100894383
N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide
CID 2326068
2-fluoro-N-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328047
1-[(3S)-3-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 97329232
N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide
CID 146098369
[(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol
CID 86814994
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8540974
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8555472
(2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine
CID 99602446
(3S,4S)-3,4-dimorpholin-4-yl-4-phenylbutan-2-one
CID 680065
5-methyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 3963324
1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea
CID 3885285

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol (CID 111755508) is 1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol is CC(NCC(O)CN(C)C)C(c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol?
The InChIKey is DPODDMYSRXBPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-15(19-13-17(22)14-20(2)3)18(16-7-5-4-6-8-16)21-9-11-23-12-10-21/h4-8,15,17-19,22H,9-14H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol?
1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol has a molecular weight of 321.46 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 111755508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).