1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol

C20H32N2O2 — CID 111335526

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol
SMILESCC1CN(CC(O)CN(C)C2CCc3ccccc3C2)CC(C)O1
InChIInChI=1S/C20H32N2O2/c1-15-11-22(12-16(2)24-15)14-20(23)13-21(3)19-9-8-17-6-4-5-7-18(17)10-19/h4-7,15-16,19-20,23H,8-14H2,1-3H3
InChIKeyMBLNOZJXGDHWBB-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.95
Rot. Bonds5

About 1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol

1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol (PubChem CID 111335526) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol
PubChem CID111335526
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol
SMILESCC1CN(CC(O)CN(C)C2CCc3ccccc3C2)CC(C)O1
InChIInChI=1S/C20H32N2O2/c1-15-11-22(12-16(2)24-15)14-20(23)13-21(3)19-9-8-17-6-4-5-7-18(17)10-19/h4-7,15-16,19-20,23H,8-14H2,1-3H3
InChIKeyMBLNOZJXGDHWBB-UHFFFAOYSA-N
XLogP1.95
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol (CID 111335526) is 1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol is CC1CN(CC(O)CN(C)C2CCc3ccccc3C2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol?
The InChIKey is MBLNOZJXGDHWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-15-11-22(12-16(2)24-15)14-20(23)13-21(3)19-9-8-17-6-4-5-7-18(17)10-19/h4-7,15-16,19-20,23H,8-14H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol?
1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol has a molecular weight of 332.49 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol is sourced from PubChem (CID 111335526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).