2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline

C21H21NO — CID 2846564

IUPAC2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline
SMILESCOc1ccc(-c2ccccc2)cc1NCc1ccccc1C
InChIInChI=1S/C21H21NO/c1-16-8-6-7-11-19(16)15-22-20-14-18(12-13-21(20)23-2)17-9-4-3-5-10-17/h3-14,22H,15H2,1-2H3
InChIKeyIUPMREQAKIZPQH-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.28
Rot. Bonds5

About 2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline

2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline (PubChem CID 2846564) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline.

Molecular Properties

Compound Name2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline
PubChem CID2846564
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline
SMILESCOc1ccc(-c2ccccc2)cc1NCc1ccccc1C
InChIInChI=1S/C21H21NO/c1-16-8-6-7-11-19(16)15-22-20-14-18(12-13-21(20)23-2)17-9-4-3-5-10-17/h3-14,22H,15H2,1-2H3
InChIKeyIUPMREQAKIZPQH-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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Related Compounds

5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 61060558
5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 43686508
N-[(3-chlorophenyl)methyl]-2-methoxy-5-phenylaniline
CID 2245086
1-(2-methoxy-5-phenylphenyl)-3-(2-methylphenyl)urea
CID 2237740
(2-methoxy-5-phenylanilino)azanium chloride
CID 11368724
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
4-[(2-methoxy-4-phenylphenyl)methylamino]-2-methylbenzamide
CID 100656156
[5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol
CID 83962472
N'-(2-methoxy-5-phenylphenyl)-2-methylpropanehydrazide
CID 11471634
3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019183
4-[(2-methoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106954073
N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline
CID 23767629

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline?
The IUPAC name of 2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline (CID 2846564) is 2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline.
What is the SMILES notation for 2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline?
The canonical SMILES for 2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline is COc1ccc(-c2ccccc2)cc1NCc1ccccc1C.
What is the InChIKey of 2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline?
The InChIKey is IUPMREQAKIZPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-16-8-6-7-11-19(16)15-22-20-14-18(12-13-21(20)23-2)17-9-4-3-5-10-17/h3-14,22H,15H2,1-2H3.
What are the key properties of 2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline?
2-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline 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-methoxy-N-[(2-methylphenyl)methyl]-5-phenylaniline is sourced from PubChem (CID 2846564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).