1-(2,4-dimethylphenyl)-N-methylethanamine

C11H17N — CID 16776999

IUPAC1-(2,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(C)c1ccc(C)cc1C
InChIInChI=1S/C11H17N/c1-8-5-6-11(9(2)7-8)10(3)12-4/h5-7,10,12H,1-4H3
InChIKeyXTNFDYBRUMIEEW-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.58
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-N-methylethanamine

1-(2,4-dimethylphenyl)-N-methylethanamine (PubChem CID 16776999) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-methylethanamine
PubChem CID16776999
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(2,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(C)c1ccc(C)cc1C
InChIInChI=1S/C11H17N/c1-8-5-6-11(9(2)7-8)10(3)12-4/h5-7,10,12H,1-4H3
InChIKeyXTNFDYBRUMIEEW-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-methylethanamine (CID 16776999) is 1-(2,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-methylethanamine is CNC(C)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is XTNFDYBRUMIEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8-5-6-11(9(2)7-8)10(3)12-4/h5-7,10,12H,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-methylethanamine?
1-(2,4-dimethylphenyl)-N-methylethanamine has a molecular weight of 163.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 16776999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).