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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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).