1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol

C17H29N3O2 — CID 111916375

IUPAC1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1ccccc1N(C)C)CC(O)CN1CCOCC1
InChIInChI=1S/C17H29N3O2/c1-18(2)17-7-5-4-6-15(17)12-19(3)13-16(21)14-20-8-10-22-11-9-20/h4-7,16,21H,8-14H2,1-3H3
InChIKeyRBVFDPKWTHRETK-UHFFFAOYSA-N
MW307.44 g/mol
LogP0.88
Rot. Bonds7

About 1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol

1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111916375) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID111916375
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(Cc1ccccc1N(C)C)CC(O)CN1CCOCC1
InChIInChI=1S/C17H29N3O2/c1-18(2)17-7-5-4-6-15(17)12-19(3)13-16(21)14-20-8-10-22-11-9-20/h4-7,16,21H,8-14H2,1-3H3
InChIKeyRBVFDPKWTHRETK-UHFFFAOYSA-N
XLogP0.88
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
1-[methyl(2-naphthalen-1-ylethyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110922046
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111423789
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 42883936
1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 110885371
1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 3742716
1-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916465
1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111799491
1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916427
1-[(2-fluorophenyl)methyl-methylamino]-3-piperazin-1-ylpropan-2-ol
CID 65449817
1-[methyl(propyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110909710
1-[(2-fluorophenyl)methyl-methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904922

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol (CID 111916375) is 1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol is CN(Cc1ccccc1N(C)C)CC(O)CN1CCOCC1.
What is the InChIKey of 1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is RBVFDPKWTHRETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-18(2)17-7-5-4-6-15(17)12-19(3)13-16(21)14-20-8-10-22-11-9-20/h4-7,16,21H,8-14H2,1-3H3.
What are the key properties of 1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 307.44 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111916375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).