1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol

C17H27NO2 — CID 106813078

IUPAC1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CNCC1(C)CCC1
InChIInChI=1S/C17H27NO2/c1-13-6-4-7-14(2)16(13)20-11-15(19)10-18-12-17(3)8-5-9-17/h4,6-7,15,18-19H,5,8-12H2,1-3H3
InChIKeyVYESKOLLKCZHPR-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.82
Rot. Bonds7

About 1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol

1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol (PubChem CID 106813078) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol
PubChem CID106813078
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CNCC1(C)CCC1
InChIInChI=1S/C17H27NO2/c1-13-6-4-7-14(2)16(13)20-11-15(19)10-18-12-17(3)8-5-9-17/h4,6-7,15,18-19H,5,8-12H2,1-3H3
InChIKeyVYESKOLLKCZHPR-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,2-dimethylcyclopentyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 79856512
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 63296307
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-(3-hydroxypropylamino)propan-2-ol
CID 60633561
1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol
CID 60903981
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-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 43090638
1-(2,6-dimethylphenoxy)-3-(4-methoxybutylamino)propan-2-ol
CID 60969294
(2R)-1-(2,6-dimethylphenoxy)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]propan-2-ol
CID 6358994

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol?
The IUPAC name of 1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol (CID 106813078) is 1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol is Cc1cccc(C)c1OCC(O)CNCC1(C)CCC1.
What is the InChIKey of 1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol?
The InChIKey is VYESKOLLKCZHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-6-4-7-14(2)16(13)20-11-15(19)10-18-12-17(3)8-5-9-17/h4,6-7,15,18-19H,5,8-12H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol?
1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol is sourced from PubChem (CID 106813078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).