3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol

C13H20N2O2 — CID 83099978

IUPAC3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol
SMILESCNCC1COCCN1Cc1cccc(O)c1
InChIInChI=1S/C13H20N2O2/c1-14-8-12-10-17-6-5-15(12)9-11-3-2-4-13(16)7-11/h2-4,7,12,14,16H,5-6,8-10H2,1H3
InChIKeySTITXTDLRWRIQX-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.81
Rot. Bonds4

About 3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol

3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol (PubChem CID 83099978) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol
PubChem CID83099978
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol
SMILESCNCC1COCCN1Cc1cccc(O)c1
InChIInChI=1S/C13H20N2O2/c1-14-8-12-10-17-6-5-15(12)9-11-3-2-4-13(16)7-11/h2-4,7,12,14,16H,5-6,8-10H2,1H3
InChIKeySTITXTDLRWRIQX-UHFFFAOYSA-N
XLogP0.81
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol?
The IUPAC name of 3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol (CID 83099978) is 3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol?
The canonical SMILES for 3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol is CNCC1COCCN1Cc1cccc(O)c1.
What is the InChIKey of 3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol?
The InChIKey is STITXTDLRWRIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14-8-12-10-17-6-5-15(12)9-11-3-2-4-13(16)7-11/h2-4,7,12,14,16H,5-6,8-10H2,1H3.
What are the key properties of 3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol?
3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol has a molecular weight of 236.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol is sourced from PubChem (CID 83099978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).