2-methoxy-4,6-dimethylaniline

C9H13NO — CID 11815944

IUPAC2-methoxy-4,6-dimethylaniline
SMILESCOc1cc(C)cc(C)c1N
InChIInChI=1S/C9H13NO/c1-6-4-7(2)9(10)8(5-6)11-3/h4-5H,10H2,1-3H3
InChIKeyVPEPZXWWZZXMRU-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.89
Rot. Bonds1

About 2-methoxy-4,6-dimethylaniline

2-methoxy-4,6-dimethylaniline (PubChem CID 11815944) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methoxy-4,6-dimethylaniline.

Molecular Properties

Compound Name2-methoxy-4,6-dimethylaniline
PubChem CID11815944
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-methoxy-4,6-dimethylaniline
SMILESCOc1cc(C)cc(C)c1N
InChIInChI=1S/C9H13NO/c1-6-4-7(2)9(10)8(5-6)11-3/h4-5H,10H2,1-3H3
InChIKeyVPEPZXWWZZXMRU-UHFFFAOYSA-N
XLogP1.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Dianisidine
CID 8411
2-Methoxy-5-Methylaniline
CID 8445
2-Methyl-4-methoxyaniline
CID 7610
o-Dianisidine dihydrochloride
CID 62311
3-Methyl-2-nitroanisole
CID 79291
2-Methoxy-6-methylaniline
CID 459249
o-Dianisidine hydrochloride
CID 12309823
2-(3-Methylphenoxy)aniline
CID 2060829
4-[(E)-2-[3-[(E)-2-(4-amino-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyaniline
CID 24785954
Benzenamine, 4,4'-methylenebis(2-methoxy-
CID 458828
2-(Benzyloxy)-4-methylaniline
CID 10987611
4-Methoxy-2,6-dimethylaniline
CID 1403909

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-dimethylaniline?
The IUPAC name of 2-methoxy-4,6-dimethylaniline (CID 11815944) is 2-methoxy-4,6-dimethylaniline.
What is the SMILES notation for 2-methoxy-4,6-dimethylaniline?
The canonical SMILES for 2-methoxy-4,6-dimethylaniline is COc1cc(C)cc(C)c1N.
What is the InChIKey of 2-methoxy-4,6-dimethylaniline?
The InChIKey is VPEPZXWWZZXMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-4-7(2)9(10)8(5-6)11-3/h4-5H,10H2,1-3H3.
What are the key properties of 2-methoxy-4,6-dimethylaniline?
2-methoxy-4,6-dimethylaniline has a molecular weight of 151.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-dimethylaniline is sourced from PubChem (CID 11815944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).