1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol

C15H24N2O3 — CID 117450269

IUPAC1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(OC)c(CN2CCOCC2)c1
InChIInChI=1S/C15H24N2O3/c1-16-10-14(18)12-3-4-15(19-2)13(9-12)11-17-5-7-20-8-6-17/h3-4,9,14,16,18H,5-8,10-11H2,1-2H3
InChIKeyPPVSQJWBMQZRMY-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.78
Rot. Bonds6

About 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol

1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol (PubChem CID 117450269) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol
PubChem CID117450269
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(OC)c(CN2CCOCC2)c1
InChIInChI=1S/C15H24N2O3/c1-16-10-14(18)12-3-4-15(19-2)13(9-12)11-17-5-7-20-8-6-17/h3-4,9,14,16,18H,5-8,10-11H2,1-2H3
InChIKeyPPVSQJWBMQZRMY-UHFFFAOYSA-N
XLogP0.78
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol (CID 117450269) is 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol is CNCC(O)c1ccc(OC)c(CN2CCOCC2)c1.
What is the InChIKey of 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol?
The InChIKey is PPVSQJWBMQZRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-16-10-14(18)12-3-4-15(19-2)13(9-12)11-17-5-7-20-8-6-17/h3-4,9,14,16,18H,5-8,10-11H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol?
1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol has a molecular weight of 280.37 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 117450269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).