1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol

C23H32N2O4 — CID 45250938

IUPAC1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1cccc(CNCc2ccccc2C)c1OCC(O)CN1CCOCC1
InChIInChI=1S/C23H32N2O4/c1-18-6-3-4-7-19(18)14-24-15-20-8-5-9-22(27-2)23(20)29-17-21(26)16-25-10-12-28-13-11-25/h3-9,21,24,26H,10-17H2,1-2H3
InChIKeyINWBGCHXCZDUOE-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.37
Rot. Bonds10

About 1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol

1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 45250938) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID45250938
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1cccc(CNCc2ccccc2C)c1OCC(O)CN1CCOCC1
InChIInChI=1S/C23H32N2O4/c1-18-6-3-4-7-19(18)14-24-15-20-8-5-9-22(27-2)23(20)29-17-21(26)16-25-10-12-28-13-11-25/h3-9,21,24,26H,10-17H2,1-2H3
InChIKeyINWBGCHXCZDUOE-UHFFFAOYSA-N
XLogP2.37
TPSA63.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 29001533
1-[2-(azetidin-1-ylmethyl)-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72845119
1-[2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45238896
4-[[2-(2-hydroxy-3-morpholin-4-ylpropoxy)-3-methoxyphenyl]methyl]piperazin-2-one
CID 45215447
(2S)-1-[2-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 42211297
1-(2,3-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 16798644
(2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 29023159
(2S)-1-[2-methoxy-6-[[prop-2-enyl(prop-2-ynyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 31016370
1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45226304
1-(2,6-dimethylphenoxy)-3-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]propan-2-ol
CID 54598123
(2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 28954876
1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
CID 60888804

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol (CID 45250938) is 1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol is COc1cccc(CNCc2ccccc2C)c1OCC(O)CN1CCOCC1.
What is the InChIKey of 1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is INWBGCHXCZDUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-18-6-3-4-7-19(18)14-24-15-20-8-5-9-22(27-2)23(20)29-17-21(26)16-25-10-12-28-13-11-25/h3-9,21,24,26H,10-17H2,1-2H3.
What are the key properties of 1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 400.52 g/mol, XLogP of 2.37, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 45250938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).