1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol

C23H33N3O4 — CID 45226304

IUPAC1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCCN(Cc1ccncc1)Cc1cccc(OC)c1OCC(O)CN1CCOCC1
InChIInChI=1S/C23H33N3O4/c1-3-25(15-19-7-9-24-10-8-19)16-20-5-4-6-22(28-2)23(20)30-18-21(27)17-26-11-13-29-14-12-26/h4-10,21,27H,3,11-18H2,1-2H3
InChIKeyCDOAQSCVCDEJRR-UHFFFAOYSA-N
MW415.53 g/mol
LogP2.18
Rot. Bonds11

About 1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol

1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 45226304) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID45226304
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCCN(Cc1ccncc1)Cc1cccc(OC)c1OCC(O)CN1CCOCC1
InChIInChI=1S/C23H33N3O4/c1-3-25(15-19-7-9-24-10-8-19)16-20-5-4-6-22(28-2)23(20)30-18-21(27)17-26-11-13-29-14-12-26/h4-10,21,27H,3,11-18H2,1-2H3
InChIKeyCDOAQSCVCDEJRR-UHFFFAOYSA-N
XLogP2.18
TPSA67.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

(2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 28954876
(2S)-1-[2-methoxy-6-[[prop-2-enyl(prop-2-ynyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 31016370
(2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 29023159
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
1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45250938
N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine;oxalic acid
CID 163327128
4-[[2-(2-hydroxy-3-morpholin-4-ylpropoxy)-3-methoxyphenyl]methyl]piperazin-2-one
CID 45215447
(2S)-1-[2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 29001533
1-[(2,3-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenoxypropan-2-ol
CID 42682366
1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45190478
(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 157064846

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol (CID 45226304) is 1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol is CCN(Cc1ccncc1)Cc1cccc(OC)c1OCC(O)CN1CCOCC1.
What is the InChIKey of 1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is CDOAQSCVCDEJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-3-25(15-19-7-9-24-10-8-19)16-20-5-4-6-22(28-2)23(20)30-18-21(27)17-26-11-13-29-14-12-26/h4-10,21,27H,3,11-18H2,1-2H3.
What are the key properties of 1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol?
1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 415.53 g/mol, XLogP of 2.18, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 45226304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).