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

C22H31NO4 — CID 16637006

IUPAC1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
SMILESCc1ccc(OCC(O)CNCC(O)COc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C22H31NO4/c1-15-5-7-21(17(3)9-15)26-13-19(24)11-23-12-20(25)14-27-22-8-6-16(2)10-18(22)4/h5-10,19-20,23-25H,11-14H2,1-4H3
InChIKeyUMOOAPHMKIANFM-UHFFFAOYSA-N
MW373.49 g/mol
LogP2.69
Rot. Bonds10

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

1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol (PubChem CID 16637006) has the molecular formula C22H31NO4 and a molecular weight of 373.49 g/mol. Its IUPAC name is 1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
PubChem CID16637006
Molecular FormulaC22H31NO4
Molecular Weight373.49 g/mol
Exact Mass373.23
IUPAC Name1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
SMILESCc1ccc(OCC(O)CNCC(O)COc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C22H31NO4/c1-15-5-7-21(17(3)9-15)26-13-19(24)11-23-12-20(25)14-27-22-8-6-16(2)10-18(22)4/h5-10,19-20,23-25H,11-14H2,1-4H3
InChIKeyUMOOAPHMKIANFM-UHFFFAOYSA-N
XLogP2.69
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol with MolForge

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Related Compounds

3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2,2-difluoropropan-1-ol
CID 106176538
1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
CID 115454663
1-(2,4-dimethylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043492
1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633896
1-(2,4-dimethylphenoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211708
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473
(2S)-1-(2,4-dimethylphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7013004
1-(2,4-dimethylphenoxy)-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473977
1-(4-bromoanilino)-3-(2,4-dimethylphenoxy)propan-2-ol
CID 60897977
1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 82873087
1-(2,4-dimethylphenoxy)-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
CID 107417965
1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 115475920

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol?
The IUPAC name of 1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol (CID 16637006) is 1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol?
The canonical SMILES for 1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol is Cc1ccc(OCC(O)CNCC(O)COc2ccc(C)cc2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol?
The InChIKey is UMOOAPHMKIANFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO4/c1-15-5-7-21(17(3)9-15)26-13-19(24)11-23-12-20(25)14-27-22-8-6-16(2)10-18(22)4/h5-10,19-20,23-25H,11-14H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol?
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol has a molecular weight of 373.49 g/mol, XLogP of 2.69, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol is sourced from PubChem (CID 16637006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).