3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol

C17H29NO3 — CID 106190087

IUPAC3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol
SMILESCCc1ccc(OCC(O)CNC(C)(C)C(C)(C)O)cc1
InChIInChI=1S/C17H29NO3/c1-6-13-7-9-15(10-8-13)21-12-14(19)11-18-16(2,3)17(4,5)20/h7-10,14,18-20H,6,11-12H2,1-5H3
InChIKeyPRRMEZOGSJOFEH-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.13
Rot. Bonds8

About 3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol

3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol (PubChem CID 106190087) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol
PubChem CID106190087
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol
SMILESCCc1ccc(OCC(O)CNC(C)(C)C(C)(C)O)cc1
InChIInChI=1S/C17H29NO3/c1-6-13-7-9-15(10-8-13)21-12-14(19)11-18-16(2,3)17(4,5)20/h7-10,14,18-20H,6,11-12H2,1-5H3
InChIKeyPRRMEZOGSJOFEH-UHFFFAOYSA-N
XLogP2.13
TPSA61.72 Ų
H-Bond Donors3
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 ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol with MolForge

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Related Compounds

(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,3-dimethylbutan-2-ol
CID 103993390
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
1-(3,3-dimethylbutylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 115581071
1-(4-ethylphenoxy)-3-(2-iodoanilino)propan-2-ol
CID 63487659
1-(tert-butylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride
CID 12005829
1-(4-ethylphenoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518304
1-(4-ethylphenoxy)-3-(1-hydroxypropan-2-ylamino)propan-2-ol
CID 60909876
1-(4-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745292
5-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131486
[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940355

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol (CID 106190087) is 3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol is CCc1ccc(OCC(O)CNC(C)(C)C(C)(C)O)cc1.
What is the InChIKey of 3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol?
The InChIKey is PRRMEZOGSJOFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-6-13-7-9-15(10-8-13)21-12-14(19)11-18-16(2,3)17(4,5)20/h7-10,14,18-20H,6,11-12H2,1-5H3.
What are the key properties of 3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol?
3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106190087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).