N-methyl-1-(2,4,6-trimethylphenyl)ethanamine

C12H19N — CID 16770838

IUPACN-methyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C12H19N/c1-8-6-9(2)12(10(3)7-8)11(4)13-5/h6-7,11,13H,1-5H3
InChIKeyVQYFHEYMRWQDOP-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.89
Rot. Bonds2

About N-methyl-1-(2,4,6-trimethylphenyl)ethanamine

N-methyl-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 16770838) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-methyl-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID16770838
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-methyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C12H19N/c1-8-6-9(2)12(10(3)7-8)11(4)13-5/h6-7,11,13H,1-5H3
InChIKeyVQYFHEYMRWQDOP-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-methyl-1-(2,4,6-trimethylphenyl)ethanamine (CID 16770838) is N-methyl-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(2,4,6-trimethylphenyl)ethanamine is CNC(C)c1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is VQYFHEYMRWQDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-8-6-9(2)12(10(3)7-8)11(4)13-5/h6-7,11,13H,1-5H3.
What are the key properties of N-methyl-1-(2,4,6-trimethylphenyl)ethanamine?
N-methyl-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 177.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 16770838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).