4-benzyl-N-(4-methoxyphenyl)aniline

C20H19NO — CID 175329182

IUPAC4-benzyl-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(Nc2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C20H19NO/c1-22-20-13-11-19(12-14-20)21-18-9-7-17(8-10-18)15-16-5-3-2-4-6-16/h2-14,21H,15H2,1H3
InChIKeyYYHJACLOJNYHQP-UHFFFAOYSA-N
MW289.38 g/mol
LogP5.03
Rot. Bonds5

About 4-benzyl-N-(4-methoxyphenyl)aniline

4-benzyl-N-(4-methoxyphenyl)aniline (PubChem CID 175329182) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-benzyl-N-(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-benzyl-N-(4-methoxyphenyl)aniline
PubChem CID175329182
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name4-benzyl-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(Nc2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C20H19NO/c1-22-20-13-11-19(12-14-20)21-18-9-7-17(8-10-18)15-16-5-3-2-4-6-16/h2-14,21H,15H2,1H3
InChIKeyYYHJACLOJNYHQP-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.38
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline
CID 159021817
1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
CID 158050824
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 58321884
2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159020840
1-benzyl-4-methoxybenzene;1,1'-biphenyl;ethane;propane;toluene
CID 153349998
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
N-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139640
benzylbenzene;methoxymethane
CID 161110966
5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
CID 23605395

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-methoxyphenyl)aniline?
The IUPAC name of 4-benzyl-N-(4-methoxyphenyl)aniline (CID 175329182) is 4-benzyl-N-(4-methoxyphenyl)aniline.
What is the SMILES notation for 4-benzyl-N-(4-methoxyphenyl)aniline?
The canonical SMILES for 4-benzyl-N-(4-methoxyphenyl)aniline is COc1ccc(Nc2ccc(Cc3ccccc3)cc2)cc1.
What is the InChIKey of 4-benzyl-N-(4-methoxyphenyl)aniline?
The InChIKey is YYHJACLOJNYHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-22-20-13-11-19(12-14-20)21-18-9-7-17(8-10-18)15-16-5-3-2-4-6-16/h2-14,21H,15H2,1H3.
What are the key properties of 4-benzyl-N-(4-methoxyphenyl)aniline?
4-benzyl-N-(4-methoxyphenyl)aniline has a molecular weight of 289.38 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-methoxyphenyl)aniline is sourced from PubChem (CID 175329182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).