4-methoxy-2-methyl-N-(3-methylphenyl)aniline

C15H17NO — CID 18006841

IUPAC4-methoxy-2-methyl-N-(3-methylphenyl)aniline
SMILESCOc1ccc(Nc2cccc(C)c2)c(C)c1
InChIInChI=1S/C15H17NO/c1-11-5-4-6-13(9-11)16-15-8-7-14(17-3)10-12(15)2/h4-10,16H,1-3H3
InChIKeyHPUWWBYYEMSPEM-UHFFFAOYSA-N
MW227.31 g/mol
LogP4.06
Rot. Bonds3

About 4-methoxy-2-methyl-N-(3-methylphenyl)aniline

4-methoxy-2-methyl-N-(3-methylphenyl)aniline (PubChem CID 18006841) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-(3-methylphenyl)aniline
PubChem CID18006841
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-methoxy-2-methyl-N-(3-methylphenyl)aniline
SMILESCOc1ccc(Nc2cccc(C)c2)c(C)c1
InChIInChI=1S/C15H17NO/c1-11-5-4-6-13(9-11)16-15-8-7-14(17-3)10-12(15)2/h4-10,16H,1-3H3
InChIKeyHPUWWBYYEMSPEM-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-(3-methylphenyl)aniline?
The IUPAC name of 4-methoxy-2-methyl-N-(3-methylphenyl)aniline (CID 18006841) is 4-methoxy-2-methyl-N-(3-methylphenyl)aniline.
What is the SMILES notation for 4-methoxy-2-methyl-N-(3-methylphenyl)aniline?
The canonical SMILES for 4-methoxy-2-methyl-N-(3-methylphenyl)aniline is COc1ccc(Nc2cccc(C)c2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-(3-methylphenyl)aniline?
The InChIKey is HPUWWBYYEMSPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-5-4-6-13(9-11)16-15-8-7-14(17-3)10-12(15)2/h4-10,16H,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-(3-methylphenyl)aniline?
4-methoxy-2-methyl-N-(3-methylphenyl)aniline has a molecular weight of 227.31 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-(3-methylphenyl)aniline is sourced from PubChem (CID 18006841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).