1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol

C15H25NO2 — CID 112510507

IUPAC1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
SMILESCCOc1cc(C)c(C(O)CNC(C)C)cc1C
InChIInChI=1S/C15H25NO2/c1-6-18-15-8-11(4)13(7-12(15)5)14(17)9-16-10(2)3/h7-8,10,14,16-17H,6,9H2,1-5H3
InChIKeyJVACFENFEZMXSL-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.73
Rot. Bonds6

About 1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol

1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 112510507) 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-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
PubChem CID112510507
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
SMILESCCOc1cc(C)c(C(O)CNC(C)C)cc1C
InChIInChI=1S/C15H25NO2/c1-6-18-15-8-11(4)13(7-12(15)5)14(17)9-16-10(2)3/h7-8,10,14,16-17H,6,9H2,1-5H3
InChIKeyJVACFENFEZMXSL-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

1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol
CID 82284052
2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 112510505
1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol
CID 112512601
cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol
CID 82049139
2-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)ethanol
CID 112512309
4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide
CID 112510492
1-(4-ethoxy-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 112512391
2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine
CID 112508260
1-amino-4-(4-ethoxy-2,5-dimethylphenyl)pentan-2-ol
CID 83940901
2-(4-ethoxy-2,5-dimethylphenyl)-2-methoxy-N-methylethanamine
CID 112512308
1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935047
1-(5-chloro-4-ethoxy-2-methylphenyl)-2-(cyclopropylamino)ethanol
CID 112512972

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol (CID 112510507) is 1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol is CCOc1cc(C)c(C(O)CNC(C)C)cc1C.
What is the InChIKey of 1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is JVACFENFEZMXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-18-15-8-11(4)13(7-12(15)5)14(17)9-16-10(2)3/h7-8,10,14,16-17H,6,9H2,1-5H3.
What are the key properties of 1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol?
1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol 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-(propan-2-ylamino)ethanol is sourced from PubChem (CID 112510507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).