2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline

C21H21NO — CID 173372401

IUPAC2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline
SMILESCOc1cccc(-c2ccccc2NCc2ccc(C)cc2)c1
InChIInChI=1S/C21H21NO/c1-16-10-12-17(13-11-16)15-22-21-9-4-3-8-20(21)18-6-5-7-19(14-18)23-2/h3-14,22H,15H2,1-2H3
InChIKeyGTRRBYPKONOFIG-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.28
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline

2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline (PubChem CID 173372401) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline
PubChem CID173372401
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline
SMILESCOc1cccc(-c2ccccc2NCc2ccc(C)cc2)c1
InChIInChI=1S/C21H21NO/c1-16-10-12-17(13-11-16)15-22-21-9-4-3-8-20(21)18-6-5-7-19(14-18)23-2/h3-14,22H,15H2,1-2H3
InChIKeyGTRRBYPKONOFIG-UHFFFAOYSA-N
XLogP5.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline (CID 173372401) is 2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline is COc1cccc(-c2ccccc2NCc2ccc(C)cc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline?
The InChIKey is GTRRBYPKONOFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-16-10-12-17(13-11-16)15-22-21-9-4-3-8-20(21)18-6-5-7-19(14-18)23-2/h3-14,22H,15H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline?
2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline has a molecular weight of 303.41 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 173372401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).