1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol

C18H30N2O3 — CID 111916427

IUPAC1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESCC(C)Oc1ccc(CN(C)CC(O)CN2CCOCC2)cc1
InChIInChI=1S/C18H30N2O3/c1-15(2)23-18-6-4-16(5-7-18)12-19(3)13-17(21)14-20-8-10-22-11-9-20/h4-7,15,17,21H,8-14H2,1-3H3
InChIKeyXZMQGRPIZHZZON-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.60
Rot. Bonds8

About 1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol

1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 111916427) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
PubChem CID111916427
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
SMILESCC(C)Oc1ccc(CN(C)CC(O)CN2CCOCC2)cc1
InChIInChI=1S/C18H30N2O3/c1-15(2)23-18-6-4-16(5-7-18)12-19(3)13-17(21)14-20-8-10-22-11-9-20/h4-7,15,17,21H,8-14H2,1-3H3
InChIKeyXZMQGRPIZHZZON-UHFFFAOYSA-N
XLogP1.60
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[methyl-[(4-methylsulfinylphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111799491
1-[(3,4-difluorophenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 110885371
1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 42883936
1-[(2,6-dimethylphenyl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916464
1-[[2-(dimethylamino)phenyl]methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916375
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111423789
1-cyclohexyloxy-3-[methyl-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]propan-2-ol
CID 155984691
1-[methyl(propyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110909710
1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111916449
1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 3742716
3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine
CID 115119849
1-[methyl(2-methylprop-2-enyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 71859849

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol (CID 111916427) is 1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol is CC(C)Oc1ccc(CN(C)CC(O)CN2CCOCC2)cc1.
What is the InChIKey of 1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is XZMQGRPIZHZZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-15(2)23-18-6-4-16(5-7-18)12-19(3)13-17(21)14-20-8-10-22-11-9-20/h4-7,15,17,21H,8-14H2,1-3H3.
What are the key properties of 1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol?
1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 322.45 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111916427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).