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

C22H31N3O4 — CID 45238896

IUPAC1-[2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1cccc(CNCCc2cccnc2)c1OCC(O)CN1CCOCC1
InChIInChI=1S/C22H31N3O4/c1-27-21-6-2-5-19(15-24-9-7-18-4-3-8-23-14-18)22(21)29-17-20(26)16-25-10-12-28-13-11-25/h2-6,8,14,20,24,26H,7,9-13,15-17H2,1H3
InChIKeyABHQXNWHOWEZGU-UHFFFAOYSA-N
MW401.51 g/mol
LogP1.49
Rot. Bonds11

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

1-[2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 45238896) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID45238896
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name1-[2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1cccc(CNCCc2cccnc2)c1OCC(O)CN1CCOCC1
InChIInChI=1S/C22H31N3O4/c1-27-21-6-2-5-19(15-24-9-7-18-4-3-8-23-14-18)22(21)29-17-20(26)16-25-10-12-28-13-11-25/h2-6,8,14,20,24,26H,7,9-13,15-17H2,1H3
InChIKeyABHQXNWHOWEZGU-UHFFFAOYSA-N
XLogP1.49
TPSA76.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-methoxy-6-[[(2-methylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45250938
(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-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45226304
1-[2-methoxy-5-[(3-pyridin-3-ylpropylamino)methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 45210392
1-(azocan-1-yl)-3-[2-methoxy-5-[(3-pyridin-3-ylpropylamino)methyl]phenoxy]propan-2-ol
CID 45238933
(2S)-1-[2-[[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 28954876
4-[[2-(2-hydroxy-3-morpholin-4-ylpropoxy)-3-methoxyphenyl]methyl]piperazin-2-one
CID 45215447
1-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45230545
(2S)-1-[2-methoxy-6-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 29023159
1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol
CID 45204618
N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-2-phenylethanamine
CID 39455826

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol (CID 45238896) is 1-[2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol is COc1cccc(CNCCc2cccnc2)c1OCC(O)CN1CCOCC1.
What is the InChIKey of 1-[2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is ABHQXNWHOWEZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-27-21-6-2-5-19(15-24-9-7-18-4-3-8-23-14-18)22(21)29-17-20(26)16-25-10-12-28-13-11-25/h2-6,8,14,20,24,26H,7,9-13,15-17H2,1H3.
What are the key properties of 1-[2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
1-[2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 401.51 g/mol, XLogP of 1.49, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 45238896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).