1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid

C17H27NO7 — CID 18593413

IUPAC1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
SMILESCc1ccc(C(C)C)c(OCC(O)CNCCO)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H25NO3.C2H2O4/c1-11(2)14-5-4-12(3)8-15(14)19-10-13(18)9-16-6-7-17;3-1(4)2(5)6/h4-5,8,11,13,16-18H,6-7,9-10H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyOPHSNSVZVKWVGH-UHFFFAOYSA-N
MW357.40 g/mol
LogP0.60
Rot. Bonds8

About 1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid

1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid (PubChem CID 18593413) has the molecular formula C17H27NO7 and a molecular weight of 357.40 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
PubChem CID18593413
Molecular FormulaC17H27NO7
Molecular Weight357.40 g/mol
Exact Mass357.18
IUPAC Name1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
SMILESCc1ccc(C(C)C)c(OCC(O)CNCCO)c1.O=C(O)C(=O)O
InChIInChI=1S/C15H25NO3.C2H2O4/c1-11(2)14-5-4-12(3)8-15(14)19-10-13(18)9-16-6-7-17;3-1(4)2(5)6/h4-5,8,11,13,16-18H,6-7,9-10H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyOPHSNSVZVKWVGH-UHFFFAOYSA-N
XLogP0.60
TPSA136.32 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 50.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-ylmethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593406
1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593407
(2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 41300592
(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 2293480
(2R)-1-(furan-2-ylmethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 41300568
methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate
CID 43537579
2-[[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909776
1-(2,5-dimethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745298
(2R)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 7386860
(2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 7386862
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864
1-(2,5-dimethylphenoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102697861

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid?
The IUPAC name of 1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid (CID 18593413) is 1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid.
What is the SMILES notation for 1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid?
The canonical SMILES for 1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid is Cc1ccc(C(C)C)c(OCC(O)CNCCO)c1.O=C(O)C(=O)O.
What is the InChIKey of 1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid?
The InChIKey is OPHSNSVZVKWVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3.C2H2O4/c1-11(2)14-5-4-12(3)8-15(14)19-10-13(18)9-16-6-7-17;3-1(4)2(5)6/h4-5,8,11,13,16-18H,6-7,9-10H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid?
1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid has a molecular weight of 357.40 g/mol, XLogP of 0.60, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid is sourced from PubChem (CID 18593413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).