2-(2,3-dimethylphenyl)-N-methylpropan-2-amine

C12H19N — CID 82280621

IUPAC2-(2,3-dimethylphenyl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cccc(C)c1C
InChIInChI=1S/C12H19N/c1-9-7-6-8-11(10(9)2)12(3,4)13-5/h6-8,13H,1-5H3
InChIKeyVUXJQUHFJPOKQY-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.76
Rot. Bonds2

About 2-(2,3-dimethylphenyl)-N-methylpropan-2-amine

2-(2,3-dimethylphenyl)-N-methylpropan-2-amine (PubChem CID 82280621) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-N-methylpropan-2-amine
PubChem CID82280621
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-(2,3-dimethylphenyl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cccc(C)c1C
InChIInChI=1S/C12H19N/c1-9-7-6-8-11(10(9)2)12(3,4)13-5/h6-8,13H,1-5H3
InChIKeyVUXJQUHFJPOKQY-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dimethylphenyl)propan-2-amine;ethane
CID 170725770
benzene;1,2,3-trimethylbenzene
CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
1-[difluoromethoxy(difluoro)methyl]-2,3-dimethylbenzene
CID 58543721
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-2-amine
CID 123425565
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
2-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 62549372
1-tert-butyl-2,3-dimethylbenzene;isocyanic acid
CID 87249720
2-(2,3-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 58543603
2-(2,3-dimethylphenyl)-2-hydroxypropanal
CID 66040528
1-(2,3-dimethylphenyl)-1-(3-methylphenyl)ethanol
CID 62548527
1-[2-(2,3-dimethylphenyl)propan-2-yl]naphthalene
CID 174418376

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-N-methylpropan-2-amine?
The IUPAC name of 2-(2,3-dimethylphenyl)-N-methylpropan-2-amine (CID 82280621) is 2-(2,3-dimethylphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(2,3-dimethylphenyl)-N-methylpropan-2-amine is CNC(C)(C)c1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-N-methylpropan-2-amine?
The InChIKey is VUXJQUHFJPOKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9-7-6-8-11(10(9)2)12(3,4)13-5/h6-8,13H,1-5H3.
What are the key properties of 2-(2,3-dimethylphenyl)-N-methylpropan-2-amine?
2-(2,3-dimethylphenyl)-N-methylpropan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 82280621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).