2-methoxy-5-(2,4,6-trimethylphenyl)aniline

C16H19NO — CID 54971573

IUPAC2-methoxy-5-(2,4,6-trimethylphenyl)aniline
SMILESCOc1ccc(-c2c(C)cc(C)cc2C)cc1N
InChIInChI=1S/C16H19NO/c1-10-7-11(2)16(12(3)8-10)13-5-6-15(18-4)14(17)9-13/h5-9H,17H2,1-4H3
InChIKeyFKSFMQQRAAAKNQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.87
Rot. Bonds2

About 2-methoxy-5-(2,4,6-trimethylphenyl)aniline

2-methoxy-5-(2,4,6-trimethylphenyl)aniline (PubChem CID 54971573) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methoxy-5-(2,4,6-trimethylphenyl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(2,4,6-trimethylphenyl)aniline
PubChem CID54971573
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-methoxy-5-(2,4,6-trimethylphenyl)aniline
SMILESCOc1ccc(-c2c(C)cc(C)cc2C)cc1N
InChIInChI=1S/C16H19NO/c1-10-7-11(2)16(12(3)8-10)13-5-6-15(18-4)14(17)9-13/h5-9H,17H2,1-4H3
InChIKeyFKSFMQQRAAAKNQ-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.87
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

5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
2-methyl-5-(2,4,6-trimethoxyphenyl)aniline
CID 61025430
5-(3-chloro-4-methoxyphenyl)-2-methylaniline
CID 54912520
5-(4-fluoro-2-methylphenyl)-2-methoxyaniline
CID 54971518
1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681095
[2-chloro-4-(2-methoxy-4,6-dimethylphenyl)phenyl]methanamine
CID 106681165
2-methoxy-5-(3-methyl-4-pyridinyl)aniline
CID 66278830
2-methoxy-5-(4-methyl-3-pyridinyl)aniline
CID 66272306
2-(3,5-dimethoxyphenyl)-1,3,5-trimethylbenzene
CID 132567017
5-(2,5-dichlorophenyl)-2-methoxyaniline
CID 54971472
4-(2-methoxy-4,6-dimethylphenyl)phenol
CID 106681641
4-(3-amino-4-methoxyphenyl)benzene-1,3-diamine
CID 22062010

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2,4,6-trimethylphenyl)aniline?
The IUPAC name of 2-methoxy-5-(2,4,6-trimethylphenyl)aniline (CID 54971573) is 2-methoxy-5-(2,4,6-trimethylphenyl)aniline.
What is the SMILES notation for 2-methoxy-5-(2,4,6-trimethylphenyl)aniline?
The canonical SMILES for 2-methoxy-5-(2,4,6-trimethylphenyl)aniline is COc1ccc(-c2c(C)cc(C)cc2C)cc1N.
What is the InChIKey of 2-methoxy-5-(2,4,6-trimethylphenyl)aniline?
The InChIKey is FKSFMQQRAAAKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-10-7-11(2)16(12(3)8-10)13-5-6-15(18-4)14(17)9-13/h5-9H,17H2,1-4H3.
What are the key properties of 2-methoxy-5-(2,4,6-trimethylphenyl)aniline?
2-methoxy-5-(2,4,6-trimethylphenyl)aniline has a molecular weight of 241.33 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2,4,6-trimethylphenyl)aniline is sourced from PubChem (CID 54971573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).