2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol

C15H25NO2 — CID 112510505

IUPAC2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
SMILESCCC(C)NCC(O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C15H25NO2/c1-6-12(4)16-9-14(17)13-7-11(3)15(18-5)8-10(13)2/h7-8,12,14,16-17H,6,9H2,1-5H3
InChIKeyQUZDPUOLAOZGOD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.73
Rot. Bonds6

About 2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol

2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol (PubChem CID 112510505) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
PubChem CID112510505
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
SMILESCCC(C)NCC(O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C15H25NO2/c1-6-12(4)16-9-14(17)13-7-11(3)15(18-5)8-10(13)2/h7-8,12,14,16-17H,6,9H2,1-5H3
InChIKeyQUZDPUOLAOZGOD-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)-2-(propan-2-ylamino)ethanol
CID 112510507
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 112510132
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763
2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 82113342
2-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 82077691
2-(butan-2-ylamino)-1-(4-methoxyphenyl)ethanol
CID 60904151
2-(1,3-dioxolan-2-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 103547609
1-butan-2-yl-5-methoxy-2,4-dimethylbenzene
CID 144980692
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol?
The IUPAC name of 2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol (CID 112510505) is 2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol is CCC(C)NCC(O)c1cc(C)c(OC)cc1C.
What is the InChIKey of 2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol?
The InChIKey is QUZDPUOLAOZGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-12(4)16-9-14(17)13-7-11(3)15(18-5)8-10(13)2/h7-8,12,14,16-17H,6,9H2,1-5H3.
What are the key properties of 2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol?
2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)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 2-(butan-2-ylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 112510505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).