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

C17H29NO2 — CID 61463540

IUPAC1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
SMILESCCC(C)C(C)NCC(O)COc1cc(C)ccc1C
InChIInChI=1S/C17H29NO2/c1-6-13(3)15(5)18-10-16(19)11-20-17-9-12(2)7-8-14(17)4/h7-9,13,15-16,18-19H,6,10-11H2,1-5H3
InChIKeyURMSHROIIAAAJR-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.07
Rot. Bonds8

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

1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol (PubChem CID 61463540) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
PubChem CID61463540
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
SMILESCCC(C)C(C)NCC(O)COc1cc(C)ccc1C
InChIInChI=1S/C17H29NO2/c1-6-13(3)15(5)18-10-16(19)11-20-17-9-12(2)7-8-14(17)4/h7-9,13,15-16,18-19H,6,10-11H2,1-5H3
InChIKeyURMSHROIIAAAJR-UHFFFAOYSA-N
XLogP3.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylethylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 54938516
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103914070
(2R)-1-(2,5-dimethylphenoxy)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 7024944
1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102697861
1-(2,5-dimethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745298
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864
1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463569
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940353
1-(2,5-dimethylphenoxy)-3-(pyrrol-1-ylamino)propan-2-ol
CID 79100094
1-(cyclobutylamino)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 62415346
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909776

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol (CID 61463540) is 1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol is CCC(C)C(C)NCC(O)COc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol?
The InChIKey is URMSHROIIAAAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-13(3)15(5)18-10-16(19)11-20-17-9-12(2)7-8-14(17)4/h7-9,13,15-16,18-19H,6,10-11H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol?
1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 61463540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).