1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol

C17H29NO3 — CID 111107864

IUPAC1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
SMILESCc1ccc(OCC(O)CN(CC(C)O)C(C)C)c(C)c1
InChIInChI=1S/C17H29NO3/c1-12(2)18(9-15(5)19)10-16(20)11-21-17-7-6-13(3)8-14(17)4/h6-8,12,15-16,19-20H,9-11H2,1-5H3
InChIKeyXSEWNZVYUFGAMH-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.13
Rot. Bonds8

About 1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol

1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol (PubChem CID 111107864) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
PubChem CID111107864
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
SMILESCc1ccc(OCC(O)CN(CC(C)O)C(C)C)c(C)c1
InChIInChI=1S/C17H29NO3/c1-12(2)18(9-15(5)19)10-16(20)11-21-17-7-6-13(3)8-14(17)4/h6-8,12,15-16,19-20H,9-11H2,1-5H3
InChIKeyXSEWNZVYUFGAMH-UHFFFAOYSA-N
XLogP2.13
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473
2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334574
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107978
(2S)-1-(4-chlorophenoxy)-3-[(2,5-dimethylphenyl)methyl-propan-2-ylamino]propan-2-ol
CID 93147397
1-(2,4-dimethylphenoxy)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol
CID 110882133
2-[cyclopentyl-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 110902009
1-(2,6-dichlorophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107927
1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride
CID 21237610
1-[benzyl(2-hydroxyethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
CID 2770333
1-[2,2-difluoroethyl(methyl)amino]-3-(2,5-dimethylphenoxy)propan-2-ol
CID 110936024
(2R)-1-(2,4-dimethylphenoxy)-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol
CID 6948198

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol (CID 111107864) is 1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol is Cc1ccc(OCC(O)CN(CC(C)O)C(C)C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is XSEWNZVYUFGAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-12(2)18(9-15(5)19)10-16(20)11-21-17-7-6-13(3)8-14(17)4/h6-8,12,15-16,19-20H,9-11H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol?
1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 111107864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).