2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol

C15H25NO3 — CID 44785140

IUPAC2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
SMILESCc1cc(C)cc(OCC(O)CNC(C)(C)CO)c1
InChIInChI=1S/C15H25NO3/c1-11-5-12(2)7-14(6-11)19-9-13(18)8-16-15(3,4)10-17/h5-7,13,16-18H,8-10H2,1-4H3
InChIKeyDWNDLMZUIKANRP-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.40
Rot. Bonds7

About 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol

2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol (PubChem CID 44785140) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
PubChem CID44785140
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
SMILESCc1cc(C)cc(OCC(O)CNC(C)(C)CO)c1
InChIInChI=1S/C15H25NO3/c1-11-5-12(2)7-14(6-11)19-9-13(18)8-16-15(3,4)10-17/h5-7,13,16-18H,8-10H2,1-4H3
InChIKeyDWNDLMZUIKANRP-UHFFFAOYSA-N
XLogP1.40
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(tert-butylamino)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 780164
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
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
CID 13104426
1-(3,5-dimethylphenoxy)-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760352
1-(3,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633357
1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 115609672
1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 115609480
1-(3,5-dimethylphenoxy)-3-(3-methylbutan-2-ylamino)propan-2-ol
CID 60632289
1-(3,5-dimethylphenoxy)-3-(3-fluoropropylamino)propan-2-ol
CID 114266956
methyl 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]acetate
CID 60904477
3-[3-(2,3-dihydroxypropoxy)-5-methylphenoxy]propane-1,2-diol
CID 18362183

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol (CID 44785140) is 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol is Cc1cc(C)cc(OCC(O)CNC(C)(C)CO)c1.
What is the InChIKey of 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol?
The InChIKey is DWNDLMZUIKANRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-5-12(2)7-14(6-11)19-9-13(18)8-16-15(3,4)10-17/h5-7,13,16-18H,8-10H2,1-4H3.
What are the key properties of 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol?
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 44785140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).