2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol

C18H31NO — CID 79062312

IUPAC2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol
SMILESCCN(CC)C(CC)(CC)C(O)c1cccc(C)c1C
InChIInChI=1S/C18H31NO/c1-7-18(8-2,19(9-3)10-4)17(20)16-13-11-12-14(5)15(16)6/h11-13,17,20H,7-10H2,1-6H3
InChIKeyHXTBNSMYSWYOON-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.24
Rot. Bonds7

About 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol

2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol (PubChem CID 79062312) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol
PubChem CID79062312
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol
SMILESCCN(CC)C(CC)(CC)C(O)c1cccc(C)c1C
InChIInChI=1S/C18H31NO/c1-7-18(8-2,19(9-3)10-4)17(20)16-13-11-12-14(5)15(16)6/h11-13,17,20H,7-10H2,1-6H3
InChIKeyHXTBNSMYSWYOON-UHFFFAOYSA-N
XLogP4.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 79053151
2-(diethylamino)-1-(2,3-difluoro-4-methylphenyl)-2-ethylbutan-1-ol
CID 107512942
2-(diethylamino)-2-ethyl-1-(2-methylthiophen-3-yl)butan-1-ol
CID 102831417
1-(2,3-dimethylphenyl)-2-methylpropane-1,2-diol
CID 103449136
3-(2,3-dimethylphenyl)-3-hydroxy-2,2-dimethylpropanoic acid
CID 62397670
1-(2,3-dimethylphenyl)-2-methylbutan-1-ol
CID 63719064
2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol
CID 103433176
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
1-(2,3-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 79056113
1-(2,3-dimethylphenyl)-2-methylsulfanylethanol
CID 62692978
1-(2,3-dimethylphenyl)octan-1-ol
CID 63900365
1-(2,3-dimethylphenyl)-2,2-diethoxyethanol
CID 79496143

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol?
The IUPAC name of 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol (CID 79062312) is 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol.
What is the SMILES notation for 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol?
The canonical SMILES for 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol is CCN(CC)C(CC)(CC)C(O)c1cccc(C)c1C.
What is the InChIKey of 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol?
The InChIKey is HXTBNSMYSWYOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-18(8-2,19(9-3)10-4)17(20)16-13-11-12-14(5)15(16)6/h11-13,17,20H,7-10H2,1-6H3.
What are the key properties of 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol?
2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol has a molecular weight of 277.45 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(2,3-dimethylphenyl)-2-ethylbutan-1-ol is sourced from PubChem (CID 79062312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).