(1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine

C12H19N — CID 70333956

IUPAC(1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine
SMILESCC[C@@H](NC)c1c(C)cccc1C
InChIInChI=1S/C12H19N/c1-5-11(13-4)12-9(2)7-6-8-10(12)3/h6-8,11,13H,5H2,1-4H3/t11-/m1/s1
InChIKeyWPJWHHFTIUYTGD-LLVKDONJSA-N
MW177.29 g/mol
LogP2.97
Rot. Bonds3

About (1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine

(1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine (PubChem CID 70333956) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine
PubChem CID70333956
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine
SMILESCC[C@@H](NC)c1c(C)cccc1C
InChIInChI=1S/C12H19N/c1-5-11(13-4)12-9(2)7-6-8-10(12)3/h6-8,11,13H,5H2,1-4H3/t11-/m1/s1
InChIKeyWPJWHHFTIUYTGD-LLVKDONJSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877539
1-(2,6-dimethylphenyl)propan-1-amine
CID 55282920
1-(3-bromo-2-methylphenyl)-N-methylpropan-1-amine
CID 114979373
1-(2,6-dimethylphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 114027109
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63424535
1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine
CID 114982147
1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine
CID 114027005
N-methyl-1-[3-(2,4,5-trimethylphenyl)phenyl]propan-1-amine
CID 64984941
1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
CID 79405236
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-methyl-3-[1-(methylamino)propyl]aniline
CID 116951935

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine?
The IUPAC name of (1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine (CID 70333956) is (1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for (1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine is CC[C@@H](NC)c1c(C)cccc1C.
What is the InChIKey of (1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine?
The InChIKey is WPJWHHFTIUYTGD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N/c1-5-11(13-4)12-9(2)7-6-8-10(12)3/h6-8,11,13H,5H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine?
(1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 70333956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).