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

C15H25NO3 — CID 102697861

IUPAC1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol
SMILESCOC(C)CNCC(O)COc1cc(C)ccc1C
InChIInChI=1S/C15H25NO3/c1-11-5-6-12(2)15(7-11)19-10-14(17)9-16-8-13(3)18-4/h5-7,13-14,16-17H,8-10H2,1-4H3
InChIKeyFZFAHPPKENVOBP-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.67
Rot. Bonds8

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

1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol (PubChem CID 102697861) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol
PubChem CID102697861
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol
SMILESCOC(C)CNCC(O)COc1cc(C)ccc1C
InChIInChI=1S/C15H25NO3/c1-11-5-6-12(2)15(7-11)19-10-14(17)9-16-8-13(3)18-4/h5-7,13-14,16-17H,8-10H2,1-4H3
InChIKeyFZFAHPPKENVOBP-UHFFFAOYSA-N
XLogP1.67
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864
1-(2,5-dimethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745298
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909776
1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 115475920
1-(2,5-dimethylphenoxy)-3-(3-methylsulfanylpropylamino)propan-2-ol
CID 63967113
1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463540
1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 54938516
(2R)-1-(2,5-dimethylphenoxy)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 7024944
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940353
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol (CID 102697861) is 1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol is COC(C)CNCC(O)COc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol?
The InChIKey is FZFAHPPKENVOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-5-6-12(2)15(7-11)19-10-14(17)9-16-8-13(3)18-4/h5-7,13-14,16-17H,8-10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol?
1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol is sourced from PubChem (CID 102697861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).