N-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline

C15H25NO — CID 67857831

IUPACN-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline
SMILESCCOC(C)C(C)CNc1c(C)cccc1C
InChIInChI=1S/C15H25NO/c1-6-17-14(5)13(4)10-16-15-11(2)8-7-9-12(15)3/h7-9,13-14,16H,6,10H2,1-5H3
InChIKeyFXKMZFXJIDUDMX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.78
Rot. Bonds6

About N-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline

N-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline (PubChem CID 67857831) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline.

Molecular Properties

Compound NameN-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline
PubChem CID67857831
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline
SMILESCCOC(C)C(C)CNc1c(C)cccc1C
InChIInChI=1S/C15H25NO/c1-6-17-14(5)13(4)10-16-15-11(2)8-7-9-12(15)3/h7-9,13-14,16H,6,10H2,1-5H3
InChIKeyFXKMZFXJIDUDMX-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-N-(2-methylpentyl)aniline;molecular hydrogen
CID 155692558
methyl 3-(2,6-dimethylanilino)-2-methylpropanoate
CID 82316678
N,N'-bis(2,6-dimethylphenyl)methanediamine
CID 21130207
1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55061574
2,6-dimethyl-N-(4-methylpentyl)aniline
CID 83156860
2-N-(2-chloroethyl)-1-N-(2,6-dimethylphenyl)propane-1,2-diamine
CID 19855600
2-(2,6-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 62330797
3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 82668611
2-ethyl-N-(3-methoxy-2-methylpropyl)-6-methylaniline
CID 116501156
N-(2,2-dipropoxyethyl)-2-methoxy-6-methylaniline
CID 71396477
N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline
CID 114200632
N,N'-bis(2,6-dimethylphenyl)butane-1,4-diamine
CID 10982540

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline?
The IUPAC name of N-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline (CID 67857831) is N-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline.
What is the SMILES notation for N-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline?
The canonical SMILES for N-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline is CCOC(C)C(C)CNc1c(C)cccc1C.
What is the InChIKey of N-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline?
The InChIKey is FXKMZFXJIDUDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-17-14(5)13(4)10-16-15-11(2)8-7-9-12(15)3/h7-9,13-14,16H,6,10H2,1-5H3.
What are the key properties of N-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline?
N-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline has a molecular weight of 235.37 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-methylbutyl)-2,6-dimethylaniline is sourced from PubChem (CID 67857831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).