2-ethyl-N,4,5-trimethylaniline

C11H17N — CID 143600818

IUPAC2-ethyl-N,4,5-trimethylaniline
SMILESCCc1cc(C)c(C)cc1NC
InChIInChI=1S/C11H17N/c1-5-10-6-8(2)9(3)7-11(10)12-4/h6-7,12H,5H2,1-4H3
InChIKeyYOXGAXYFYPFPHJ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.91
Rot. Bonds2

About 2-ethyl-N,4,5-trimethylaniline

2-ethyl-N,4,5-trimethylaniline (PubChem CID 143600818) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-ethyl-N,4,5-trimethylaniline.

Molecular Properties

Compound Name2-ethyl-N,4,5-trimethylaniline
PubChem CID143600818
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-ethyl-N,4,5-trimethylaniline
SMILESCCc1cc(C)c(C)cc1NC
InChIInChI=1S/C11H17N/c1-5-10-6-8(2)9(3)7-11(10)12-4/h6-7,12H,5H2,1-4H3
InChIKeyYOXGAXYFYPFPHJ-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-ethyl-4,5-dimethylbenzene
CID 90213759
2-ethyl-5-ethynyl-N-methylaniline
CID 143400056
N-[4,5-dimethyl-2-(methylamino)phenyl]-N-oxidohydroxylamine
CID 163533278
2,5-diethyl-1-N,3-dimethylbenzene-1,4-diamine;hydrochloride
CID 174695946
2-ethyl-4,5-dimethylbenzonitrile
CID 18728392
2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 146951235
N,4-diethyl-5-fluoro-2-methylaniline
CID 144881437
5,8-dimethyl-6-(methylamino)-2H-isoquinolin-1-one
CID 163616268
4-chloro-N,2,5-trimethylaniline
CID 82550905
2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 126678425
N,2-diethyl-4-methylaniline
CID 23348946
2,5-dimethyl-4-(methylamino)benzoic acid
CID 153189772

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,4,5-trimethylaniline?
The IUPAC name of 2-ethyl-N,4,5-trimethylaniline (CID 143600818) is 2-ethyl-N,4,5-trimethylaniline.
What is the SMILES notation for 2-ethyl-N,4,5-trimethylaniline?
The canonical SMILES for 2-ethyl-N,4,5-trimethylaniline is CCc1cc(C)c(C)cc1NC.
What is the InChIKey of 2-ethyl-N,4,5-trimethylaniline?
The InChIKey is YOXGAXYFYPFPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-5-10-6-8(2)9(3)7-11(10)12-4/h6-7,12H,5H2,1-4H3.
What are the key properties of 2-ethyl-N,4,5-trimethylaniline?
2-ethyl-N,4,5-trimethylaniline has a molecular weight of 163.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,4,5-trimethylaniline is sourced from PubChem (CID 143600818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).