2-methyl-5-(2,4,6-trimethoxyphenyl)aniline

C16H19NO3 — CID 61025430

IUPAC2-methyl-5-(2,4,6-trimethoxyphenyl)aniline
SMILESCOc1cc(OC)c(-c2ccc(C)c(N)c2)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-10-5-6-11(7-13(10)17)16-14(19-3)8-12(18-2)9-15(16)20-4/h5-9H,17H2,1-4H3
InChIKeyRYMQRVHPVFRUBX-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.27
Rot. Bonds4

About 2-methyl-5-(2,4,6-trimethoxyphenyl)aniline

2-methyl-5-(2,4,6-trimethoxyphenyl)aniline (PubChem CID 61025430) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-methyl-5-(2,4,6-trimethoxyphenyl)aniline.

Molecular Properties

Compound Name2-methyl-5-(2,4,6-trimethoxyphenyl)aniline
PubChem CID61025430
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-methyl-5-(2,4,6-trimethoxyphenyl)aniline
SMILESCOc1cc(OC)c(-c2ccc(C)c(N)c2)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-10-5-6-11(7-13(10)17)16-14(19-3)8-12(18-2)9-15(16)20-4/h5-9H,17H2,1-4H3
InChIKeyRYMQRVHPVFRUBX-UHFFFAOYSA-N
XLogP3.27
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(2,4,6-trimethoxyphenyl)aniline
CID 61025671
5-(3-chloro-4-methoxyphenyl)-2-methylaniline
CID 54912520
3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline
CID 102009274
2-methoxy-5-(2,4,6-trimethylphenyl)aniline
CID 54971573
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
2,4-dimethoxy-6-methylaniline;hydrate
CID 172746341
3,5-dimethoxy-2-methylaniline;hydrochloride
CID 91663006
1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine
CID 61032618
5-(4-aminophenyl)-2-methylaniline
CID 68788638
5-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-2-methylaniline
CID 143054394
6-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-indole
CID 116698533
6-methyl-5-(2,4,6-trimethoxyphenyl)pyridin-2-amine
CID 79020265

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,4,6-trimethoxyphenyl)aniline?
The IUPAC name of 2-methyl-5-(2,4,6-trimethoxyphenyl)aniline (CID 61025430) is 2-methyl-5-(2,4,6-trimethoxyphenyl)aniline.
What is the SMILES notation for 2-methyl-5-(2,4,6-trimethoxyphenyl)aniline?
The canonical SMILES for 2-methyl-5-(2,4,6-trimethoxyphenyl)aniline is COc1cc(OC)c(-c2ccc(C)c(N)c2)c(OC)c1.
What is the InChIKey of 2-methyl-5-(2,4,6-trimethoxyphenyl)aniline?
The InChIKey is RYMQRVHPVFRUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-5-6-11(7-13(10)17)16-14(19-3)8-12(18-2)9-15(16)20-4/h5-9H,17H2,1-4H3.
What are the key properties of 2-methyl-5-(2,4,6-trimethoxyphenyl)aniline?
2-methyl-5-(2,4,6-trimethoxyphenyl)aniline has a molecular weight of 273.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,4,6-trimethoxyphenyl)aniline is sourced from PubChem (CID 61025430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).