2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol

C18H30N2O3 — CID 111468245

IUPAC2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol
SMILESCC(C)Oc1cccc(CNCC(C)(O)CN2CCOCC2)c1
InChIInChI=1S/C18H30N2O3/c1-15(2)23-17-6-4-5-16(11-17)12-19-13-18(3,21)14-20-7-9-22-10-8-20/h4-6,11,15,19,21H,7-10,12-14H2,1-3H3
InChIKeyVKWLRTSVNWLEAK-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.65
Rot. Bonds8

About 2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol

2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol (PubChem CID 111468245) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol
PubChem CID111468245
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol
SMILESCC(C)Oc1cccc(CNCC(C)(O)CN2CCOCC2)c1
InChIInChI=1S/C18H30N2O3/c1-15(2)23-17-6-4-5-16(11-17)12-19-13-18(3,21)14-20-7-9-22-10-8-20/h4-6,11,15,19,21H,7-10,12-14H2,1-3H3
InChIKeyVKWLRTSVNWLEAK-UHFFFAOYSA-N
XLogP1.65
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol (CID 111468245) is 2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol is CC(C)Oc1cccc(CNCC(C)(O)CN2CCOCC2)c1.
What is the InChIKey of 2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol?
The InChIKey is VKWLRTSVNWLEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-15(2)23-17-6-4-5-16(11-17)12-19-13-18(3,21)14-20-7-9-22-10-8-20/h4-6,11,15,19,21H,7-10,12-14H2,1-3H3.
What are the key properties of 2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol?
2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol has a molecular weight of 322.45 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-morpholin-4-yl-3-[(3-propan-2-yloxyphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 111468245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).