1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol

C16H27NO2 — CID 60632289

IUPAC1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol
SMILESCc1cc(C)cc(OCC(O)CNC(C)C(C)C)c1
InChIInChI=1S/C16H27NO2/c1-11(2)14(5)17-9-15(18)10-19-16-7-12(3)6-13(4)8-16/h6-8,11,14-15,17-18H,9-10H2,1-5H3
InChIKeyLLXPQEPNVWPHGO-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.68
Rot. Bonds7

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

1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol (PubChem CID 60632289) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol
PubChem CID60632289
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol
SMILESCc1cc(C)cc(OCC(O)CNC(C)C(C)C)c1
InChIInChI=1S/C16H27NO2/c1-11(2)14(5)17-9-15(18)10-19-16-7-12(3)6-13(4)8-16/h6-8,11,14-15,17-18H,9-10H2,1-5H3
InChIKeyLLXPQEPNVWPHGO-UHFFFAOYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199289
(2S)-1-(tert-butylamino)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 780164
4-[(2S)-2-hydroxy-3-[[(2R)-3-methylbutan-2-yl]amino]propoxy]benzonitrile
CID 93381110
1-(3,5-dimethylphenoxy)-3-(4-phenylbutan-2-ylamino)propan-2-ol
CID 158624002
1-(3,5-dimethylphenoxy)-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62839978
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 44785140
1-(3,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633357
methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate
CID 60904477
1-(3,5-dimethylphenoxy)-3-(3-fluoropropylamino)propan-2-ol
CID 114266956
1-(3,5-dimethylphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol chloride
CID 21237849
1-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylbutan-2-ol
CID 65106826
1-(3,5-dimethylphenoxy)-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760352

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol (CID 60632289) is 1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol is Cc1cc(C)cc(OCC(O)CNC(C)C(C)C)c1.
What is the InChIKey of 1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol?
The InChIKey is LLXPQEPNVWPHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)14(5)17-9-15(18)10-19-16-7-12(3)6-13(4)8-16/h6-8,11,14-15,17-18H,9-10H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol?
1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol is sourced from PubChem (CID 60632289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).