1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol

C23H39N3O4 — CID 45183430

IUPAC1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCOc1cc(CNCC(C)(C)N2CCOCC2)ccc1OCC(O)CN1CCCC1
InChIInChI=1S/C23H39N3O4/c1-23(2,26-10-12-29-13-11-26)18-24-15-19-6-7-21(22(14-19)28-3)30-17-20(27)16-25-8-4-5-9-25/h6-7,14,20,24,27H,4-5,8-13,15-18H2,1-3H3
InChIKeyFEGPXCNQRDAYBB-UHFFFAOYSA-N
MW421.58 g/mol
LogP1.73
Rot. Bonds11

About 1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol

1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 45183430) has the molecular formula C23H39N3O4 and a molecular weight of 421.58 g/mol. Its IUPAC name is 1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID45183430
Molecular FormulaC23H39N3O4
Molecular Weight421.58 g/mol
Exact Mass421.29
IUPAC Name1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCOc1cc(CNCC(C)(C)N2CCOCC2)ccc1OCC(O)CN1CCCC1
InChIInChI=1S/C23H39N3O4/c1-23(2,26-10-12-29-13-11-26)18-24-15-19-6-7-21(22(14-19)28-3)30-17-20(27)16-25-8-4-5-9-25/h6-7,14,20,24,27H,4-5,8-13,15-18H2,1-3H3
InChIKeyFEGPXCNQRDAYBB-UHFFFAOYSA-N
XLogP1.73
TPSA66.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.58
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-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

1-[4-(ethylaminomethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45240559
(2R)-1-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 26405119
(2R)-1-[4-[(cyclohexylmethylamino)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 28872431
(2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97269962
1-[4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 45216893
1-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45230545
(2S)-1-[2-methoxy-4-[(2-phenoxyethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 29027193
(2R)-1-[2-methoxy-4-[(2-propan-2-yloxyethylamino)methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 26401319
1-[2-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 45201700
(2R)-1-(azocan-1-yl)-3-[2-methoxy-4-[[(3-methylphenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 42303255
1-(azocan-1-yl)-3-[4-[[(4,6-dimethylpyrimidin-2-yl)methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45251722
1-(azepan-1-yl)-3-[4-[[(3-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45245507

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol (CID 45183430) is 1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol is COc1cc(CNCC(C)(C)N2CCOCC2)ccc1OCC(O)CN1CCCC1.
What is the InChIKey of 1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is FEGPXCNQRDAYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O4/c1-23(2,26-10-12-29-13-11-26)18-24-15-19-6-7-21(22(14-19)28-3)30-17-20(27)16-25-8-4-5-9-25/h6-7,14,20,24,27H,4-5,8-13,15-18H2,1-3H3.
What are the key properties of 1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 421.58 g/mol, XLogP of 1.73, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 45183430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).