1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol

C18H31NO — CID 63471145

IUPAC1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol
SMILESCCC(CC)CN(CC)CC(O)c1cc(C)ccc1C
InChIInChI=1S/C18H31NO/c1-6-16(7-2)12-19(8-3)13-18(20)17-11-14(4)9-10-15(17)5/h9-11,16,18,20H,6-8,12-13H2,1-5H3
InChIKeyZCKMGRWJYCQQTO-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.09
Rot. Bonds8

About 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol

1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol (PubChem CID 63471145) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol
PubChem CID63471145
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol
SMILESCCC(CC)CN(CC)CC(O)c1cc(C)ccc1C
InChIInChI=1S/C18H31NO/c1-6-16(7-2)12-19(8-3)13-18(20)17-11-14(4)9-10-15(17)5/h9-11,16,18,20H,6-8,12-13H2,1-5H3
InChIKeyZCKMGRWJYCQQTO-UHFFFAOYSA-N
XLogP4.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine
CID 63469586
2-(dibutylamino)-1-(2,5-dimethylphenyl)ethanol
CID 63472284
(1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol
CID 96519387
1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
CID 63565743
1-(2,5-dimethylphenyl)-5-methylhexan-1-ol
CID 83158845
1-(2,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 61088457
2-[ethyl(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)ethanol
CID 54983134
1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol
CID 115829693
2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol
CID 62774526
4-(2,5-dimethylphenyl)-4-hydroxybutanamide
CID 82112992
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol
CID 105416501
1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol
CID 65148482

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol (CID 63471145) is 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol is CCC(CC)CN(CC)CC(O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol?
The InChIKey is ZCKMGRWJYCQQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-16(7-2)12-19(8-3)13-18(20)17-11-14(4)9-10-15(17)5/h9-11,16,18,20H,6-8,12-13H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol?
1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol has a molecular weight of 277.45 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanol is sourced from PubChem (CID 63471145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).