(2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol

C15H25NO3 — CID 39366264

IUPAC(2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCOCCNC[C@H](O)COc1ccccc1C(C)C
InChIInChI=1S/C15H25NO3/c1-12(2)14-6-4-5-7-15(14)19-11-13(17)10-16-8-9-18-3/h4-7,12-13,16-17H,8-11H2,1-3H3/t13-/m0/s1
InChIKeyAQVTWIDAAMYITG-ZDUSSCGKSA-N
MW267.37 g/mol
LogP1.79
Rot. Bonds9

About (2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol

(2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol (PubChem CID 39366264) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
PubChem CID39366264
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCOCCNC[C@H](O)COc1ccccc1C(C)C
InChIInChI=1S/C15H25NO3/c1-12(2)14-6-4-5-7-15(14)19-11-13(17)10-16-8-9-18-3/h4-7,12-13,16-17H,8-11H2,1-3H3/t13-/m0/s1
InChIKeyAQVTWIDAAMYITG-ZDUSSCGKSA-N
XLogP1.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-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-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 71651455
N-[2-[[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]amino]ethyl]acetamide
CID 2561444
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864
4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
CID 106246755
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 62843457
1-methoxy-3-(2-propan-2-ylphenoxy)propan-2-amine
CID 107506612
3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
CID 82850622
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine
CID 107506613
(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39356436
1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138960352

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol (CID 39366264) is (2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol is COCCNC[C@H](O)COc1ccccc1C(C)C.
What is the InChIKey of (2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is AQVTWIDAAMYITG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(2)14-6-4-5-7-15(14)19-11-13(17)10-16-8-9-18-3/h4-7,12-13,16-17H,8-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol?
(2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxyethylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 39366264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).