1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol

C17H28N2O2 — CID 111916464

IUPAC1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCc1cccc(C)c1CN(C)CC(O)CN1CCOCC1
InChIInChI=1S/C17H28N2O2/c1-14-5-4-6-15(2)17(14)13-18(3)11-16(20)12-19-7-9-21-10-8-19/h4-6,16,20H,7-13H2,1-3H3
InChIKeyXALDVZBUXBRHPI-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.43
Rot. Bonds6

About 1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol

1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111916464) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID111916464
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCc1cccc(C)c1CN(C)CC(O)CN1CCOCC1
InChIInChI=1S/C17H28N2O2/c1-14-5-4-6-15(2)17(14)13-18(3)11-16(20)12-19-7-9-21-10-8-19/h4-6,16,20H,7-13H2,1-3H3
InChIKeyXALDVZBUXBRHPI-UHFFFAOYSA-N
XLogP1.43
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916375
1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 110885371
1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916427
1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111799491
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 42883936
1-[methyl(2-naphthalen-1-ylethyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110922046
1-[methyl(propyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110909710
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111423789
1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916449
1-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916477
1-[methyl(2-methylprop-2-enyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 71859849
1-(2,3-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 16798644

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol (CID 111916464) is 1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol is Cc1cccc(C)c1CN(C)CC(O)CN1CCOCC1.
What is the InChIKey of 1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is XALDVZBUXBRHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14-5-4-6-15(2)17(14)13-18(3)11-16(20)12-19-7-9-21-10-8-19/h4-6,16,20H,7-13H2,1-3H3.
What are the key properties of 1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol?
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111916464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).