N,2-diethyl-N,4,6-trimethylaniline

C13H21N — CID 170122413

IUPACN,2-diethyl-N,4,6-trimethylaniline
SMILESCCc1cc(C)cc(C)c1N(C)CC
InChIInChI=1S/C13H21N/c1-6-12-9-10(3)8-11(4)13(12)14(5)7-2/h8-9H,6-7H2,1-5H3
InChIKeyLIONGLWLQFDNOV-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.32
Rot. Bonds3

About N,2-diethyl-N,4,6-trimethylaniline

N,2-diethyl-N,4,6-trimethylaniline (PubChem CID 170122413) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N,2-diethyl-N,4,6-trimethylaniline.

Molecular Properties

Compound NameN,2-diethyl-N,4,6-trimethylaniline
PubChem CID170122413
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN,2-diethyl-N,4,6-trimethylaniline
SMILESCCc1cc(C)cc(C)c1N(C)CC
InChIInChI=1S/C13H21N/c1-6-12-9-10(3)8-11(4)13(12)14(5)7-2/h8-9H,6-7H2,1-5H3
InChIKeyLIONGLWLQFDNOV-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536
2-ethyl-6-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylphenol
CID 22011679
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
N-ethyl-2-methoxy-N,3,4,6-tetramethylaniline
CID 115259374
1,3-dimethyl-1,3-bis(2,4,6-trimethylphenyl)guanidine
CID 177044470
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115259441
N-ethyl-4-methoxy-N,2,3,6-tetramethylaniline
CID 115259372
1-(2-ethyl-4,6-dimethylphenyl)piperazine
CID 59119296
2-(2,6-diethylphenyl)-1,3,5-trimethylbenzene
CID 91665787
1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea
CID 175345142
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
2-(bromomethyl)-1,3-diethyl-5-methylbenzene
CID 66954706

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N,4,6-trimethylaniline?
The IUPAC name of N,2-diethyl-N,4,6-trimethylaniline (CID 170122413) is N,2-diethyl-N,4,6-trimethylaniline.
What is the SMILES notation for N,2-diethyl-N,4,6-trimethylaniline?
The canonical SMILES for N,2-diethyl-N,4,6-trimethylaniline is CCc1cc(C)cc(C)c1N(C)CC.
What is the InChIKey of N,2-diethyl-N,4,6-trimethylaniline?
The InChIKey is LIONGLWLQFDNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-6-12-9-10(3)8-11(4)13(12)14(5)7-2/h8-9H,6-7H2,1-5H3.
What are the key properties of N,2-diethyl-N,4,6-trimethylaniline?
N,2-diethyl-N,4,6-trimethylaniline has a molecular weight of 191.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N,4,6-trimethylaniline is sourced from PubChem (CID 170122413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).