1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol

C15H23NO2 — CID 62415346

IUPAC1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CNC2CCC2)c1
InChIInChI=1S/C15H23NO2/c1-11-6-7-12(2)15(8-11)18-10-14(17)9-16-13-4-3-5-13/h6-8,13-14,16-17H,3-5,9-10H2,1-2H3
InChIKeyGSIRIQHJTCXZPV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.19
Rot. Bonds6

About 1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol

1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol (PubChem CID 62415346) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
PubChem CID62415346
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CNC2CCC2)c1
InChIInChI=1S/C15H23NO2/c1-11-6-7-12(2)15(8-11)18-10-14(17)9-16-13-4-3-5-13/h6-8,13-14,16-17H,3-5,9-10H2,1-2H3
InChIKeyGSIRIQHJTCXZPV-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-tert-butyl-4-methylphenoxy)-3-(cyclopentylamino)propan-2-ol
CID 2304367
1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 54938516
(2R)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767536
(2S)-1-(2,4-dimethylphenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 39767533
1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593407
(2R)-1-(2,5-dimethylphenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 11881754
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
1-(2-bromo-4-methylphenoxy)-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 60633338
1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62413983
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-(2,5-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
CID 62517402
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol (CID 62415346) is 1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol is Cc1ccc(C)c(OCC(O)CNC2CCC2)c1.
What is the InChIKey of 1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol?
The InChIKey is GSIRIQHJTCXZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-6-7-12(2)15(8-11)18-10-14(17)9-16-13-4-3-5-13/h6-8,13-14,16-17H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol?
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 62415346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).