2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine

C12H17N — CID 164584980

IUPAC2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)c1c(C)cccc1C
InChIInChI=1S/C12H17N/c1-9-6-5-7-10(2)12(9)11(3)8-13-4/h5-7,13H,3,8H2,1-2,4H3
InChIKeyBQYLOYWJRJFLMC-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.54
Rot. Bonds3

About 2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine

2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine (PubChem CID 164584980) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine
PubChem CID164584980
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)c1c(C)cccc1C
InChIInChI=1S/C12H17N/c1-9-6-5-7-10(2)12(9)11(3)8-13-4/h5-7,13H,3,8H2,1-2,4H3
InChIKeyBQYLOYWJRJFLMC-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methamphetamine
CID 10836
Fenfluramine
CID 3337
Mephentermine
CID 3677
Protriptyline
CID 4976
Dexfenfluramine
CID 66265
N-Methylbenzylamine
CID 7669
Levmetamfetamine
CID 36604
Protriptyline Hydrochloride
CID 6603149
N-Methylbenzeneethanamine
CID 11503
(+)-Methamphetamine hydrochloride
CID 66124
N-Ethylamphetamine
CID 9982
Phenpromethamine
CID 22276

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine (CID 164584980) is 2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine is C=C(CNC)c1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine?
The InChIKey is BQYLOYWJRJFLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-6-5-7-10(2)12(9)11(3)8-13-4/h5-7,13H,3,8H2,1-2,4H3.
What are the key properties of 2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine?
2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 164584980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).