1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol

C23H33NO4 — CID 23471045

IUPAC1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol
SMILESCOCCOCc1ccccc1OCC(O)CNC(C)(C)Cc1ccccc1
InChIInChI=1S/C23H33NO4/c1-23(2,15-19-9-5-4-6-10-19)24-16-21(25)18-28-22-12-8-7-11-20(22)17-27-14-13-26-3/h4-12,21,24-25H,13-18H2,1-3H3
InChIKeyFTRXPSLRLMIFGR-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.20
Rot. Bonds13

About 1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol

1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol (PubChem CID 23471045) has the molecular formula C23H33NO4 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol
PubChem CID23471045
Molecular FormulaC23H33NO4
Molecular Weight387.52 g/mol
Exact Mass387.24
IUPAC Name1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol
SMILESCOCCOCc1ccccc1OCC(O)CNC(C)(C)Cc1ccccc1
InChIInChI=1S/C23H33NO4/c1-23(2,15-19-9-5-4-6-10-19)24-16-21(25)18-28-22-12-8-7-11-20(22)17-27-14-13-26-3/h4-12,21,24-25H,13-18H2,1-3H3
InChIKeyFTRXPSLRLMIFGR-UHFFFAOYSA-N
XLogP3.20
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-(tert-butylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol
CID 23471032
1-[2-(2-methoxyethoxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 23471036
1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 22640874
4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol
CID 21312383
1-(1-hydroxypropan-2-ylamino)-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol
CID 23471085
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[2-(2-methoxyethoxymethyl)phenoxy]propan-2-ol
CID 23471094
(2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 59040452
1-(2-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 22640862
1-[2-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 14029276
3-hydroxy-4-[(2-methyl-1-phenylpropan-2-yl)amino]butanoic acid
CID 114264140
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-4-phenylbutan-2-ol
CID 22640950
2-chloro-6-[2-hydroxy-3-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]propoxy]benzonitrile
CID 56980512

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol (CID 23471045) is 1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol is COCCOCc1ccccc1OCC(O)CNC(C)(C)Cc1ccccc1.
What is the InChIKey of 1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol?
The InChIKey is FTRXPSLRLMIFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO4/c1-23(2,15-19-9-5-4-6-10-19)24-16-21(25)18-28-22-12-8-7-11-20(22)17-27-14-13-26-3/h4-12,21,24-25H,13-18H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol?
1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol has a molecular weight of 387.52 g/mol, XLogP of 3.20, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 23471045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).