1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol

C15H25NO2 — CID 112512601

IUPAC1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol
SMILESCCNC(C)C(O)c1cc(C)c(OCC)cc1C
InChIInChI=1S/C15H25NO2/c1-6-16-12(5)15(17)13-8-11(4)14(18-7-2)9-10(13)3/h8-9,12,15-17H,6-7H2,1-5H3
InChIKeyJRLBRIXMNNDFML-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.73
Rot. Bonds6

About 1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol

1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol (PubChem CID 112512601) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol
PubChem CID112512601
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol
SMILESCCNC(C)C(O)c1cc(C)c(OCC)cc1C
InChIInChI=1S/C15H25NO2/c1-6-16-12(5)15(17)13-8-11(4)14(18-7-2)9-10(13)3/h8-9,12,15-17H,6-7H2,1-5H3
InChIKeyJRLBRIXMNNDFML-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol
CID 112512309
1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 112510507
1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol
CID 82284052
methyl 4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxy-3-(methylamino)butanoate
CID 82350072
2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid
CID 112514673
1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol
CID 83940901
cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol
CID 82049139
3-(4-ethoxy-2,5-dimethylphenyl)butanethioamide
CID 83940846
2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
CID 112509429
2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine
CID 112508260
1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
CID 82315196
4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide
CID 112510492

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol?
The IUPAC name of 1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol (CID 112512601) is 1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol?
The canonical SMILES for 1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol is CCNC(C)C(O)c1cc(C)c(OCC)cc1C.
What is the InChIKey of 1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol?
The InChIKey is JRLBRIXMNNDFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-16-12(5)15(17)13-8-11(4)14(18-7-2)9-10(13)3/h8-9,12,15-17H,6-7H2,1-5H3.
What are the key properties of 1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol?
1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 112512601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).