(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine

C12H19NO — CID 96670588

IUPAC(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
SMILESCN[C@H](C)c1c(C)cc(C)cc1OC
InChIInChI=1S/C12H19NO/c1-8-6-9(2)12(10(3)13-4)11(7-8)14-5/h6-7,10,13H,1-5H3/t10-/m1/s1
InChIKeyTWUHSRVULAHXQV-SNVBAGLBSA-N
MW193.29 g/mol
LogP2.59
Rot. Bonds3

About (1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine

(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine (PubChem CID 96670588) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
PubChem CID96670588
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
SMILESCN[C@H](C)c1c(C)cc(C)cc1OC
InChIInChI=1S/C12H19NO/c1-8-6-9(2)12(10(3)13-4)11(7-8)14-5/h6-7,10,13H,1-5H3/t10-/m1/s1
InChIKeyTWUHSRVULAHXQV-SNVBAGLBSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16770838
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile
CID 116955039
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropan-1-amine
CID 106680743
1-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106680447
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
N-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]-3-(methylamino)propanamide
CID 112514936
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
CID 116950363
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 106680989
1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949052
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680928
4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680772

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine?
The IUPAC name of (1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine (CID 96670588) is (1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for (1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for (1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine is CN[C@H](C)c1c(C)cc(C)cc1OC.
What is the InChIKey of (1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine?
The InChIKey is TWUHSRVULAHXQV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-6-9(2)12(10(3)13-4)11(7-8)14-5/h6-7,10,13H,1-5H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine?
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 96670588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).