1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol

C15H25NO2 — CID 82315218

IUPAC1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol
SMILESCCOc1ccc(C)cc1C(O)C(NC)C(C)C
InChIInChI=1S/C15H25NO2/c1-6-18-13-8-7-11(4)9-12(13)15(17)14(16-5)10(2)3/h7-10,14-17H,6H2,1-5H3
InChIKeyUZEOQYGJTOBWLX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.67
Rot. Bonds6

About 1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol

1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol (PubChem CID 82315218) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol
PubChem CID82315218
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol
SMILESCCOc1ccc(C)cc1C(O)C(NC)C(C)C
InChIInChI=1S/C15H25NO2/c1-6-18-13-8-7-11(4)9-12(13)15(17)14(16-5)10(2)3/h7-10,14-17H,6H2,1-5H3
InChIKeyUZEOQYGJTOBWLX-UHFFFAOYSA-N
XLogP2.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol
CID 82315219
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol
CID 82313727
1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
CID 82315196
1-(2-ethoxy-5-methylphenyl)-2-(propylamino)butan-1-ol
CID 82315202
1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine
CID 62303499
4-(2-ethoxy-5-methylphenyl)-4-hydroxy-3-(propan-2-ylamino)butanoic acid
CID 82349047
N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
CID 43505072
1-(2-ethoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 62302323
N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine
CID 62103815
1-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 63639272
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol (CID 82315218) is 1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol is CCOc1ccc(C)cc1C(O)C(NC)C(C)C.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol?
The InChIKey is UZEOQYGJTOBWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-18-13-8-7-11(4)9-12(13)15(17)14(16-5)10(2)3/h7-10,14-17H,6H2,1-5H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol?
1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 82315218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).