1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol

C17H21NO2 — CID 60903981

IUPAC1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CNc1ccccc1
InChIInChI=1S/C17H21NO2/c1-13-7-6-8-14(2)17(13)20-12-16(19)11-18-15-9-4-3-5-10-15/h3-10,16,18-19H,11-12H2,1-2H3
InChIKeyFOVKSGXIOBIZNG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.16
Rot. Bonds6

About 1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol

1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol (PubChem CID 60903981) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol
PubChem CID60903981
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CNc1ccccc1
InChIInChI=1S/C17H21NO2/c1-13-7-6-8-14(2)17(13)20-12-16(19)11-18-15-9-4-3-5-10-15/h3-10,16,18-19H,11-12H2,1-2H3
InChIKeyFOVKSGXIOBIZNG-UHFFFAOYSA-N
XLogP3.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-anilino-3-(2,6-dimethylphenoxy)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-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633561
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 43090638
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916
1-(2,6-dimethylphenoxy)-3-(2-methylbutylamino)propan-2-ol
CID 62692017
1-(2,6-dimethylphenoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79352285
1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol
CID 106813078
1-(2,6-dimethylphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63967301
1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol
CID 60633323
1-(2,6-dimethylphenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol
CID 106547035
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 63296307
2-[[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]amino]-2-ethylpropane-1,3-diol
CID 103601368

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol (CID 60903981) is 1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol is Cc1cccc(C)c1OCC(O)CNc1ccccc1.
What is the InChIKey of 1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol?
The InChIKey is FOVKSGXIOBIZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-7-6-8-14(2)17(13)20-12-16(19)11-18-15-9-4-3-5-10-15/h3-10,16,18-19H,11-12H2,1-2H3.
What are the key properties of 1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol?
1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 60903981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).