N-benzyl-N-methyl-4-phenylaniline

C20H19N — CID 23459365

IUPACN-benzyl-N-methyl-4-phenylaniline
SMILESCN(Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19N/c1-21(16-17-8-4-2-5-9-17)20-14-12-19(13-15-20)18-10-6-3-7-11-18/h2-15H,16H2,1H3
InChIKeyPBQHSYJQZJOQKT-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.99
Rot. Bonds4

About N-benzyl-N-methyl-4-phenylaniline

N-benzyl-N-methyl-4-phenylaniline (PubChem CID 23459365) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-phenylaniline.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-phenylaniline
PubChem CID23459365
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC NameN-benzyl-N-methyl-4-phenylaniline
SMILESCN(Cc1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19N/c1-21(16-17-8-4-2-5-9-17)20-14-12-19(13-15-20)18-10-6-3-7-11-18/h2-15H,16H2,1H3
InChIKeyPBQHSYJQZJOQKT-UHFFFAOYSA-N
XLogP4.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-methyl-4-pyridin-4-ylaniline
CID 23466191
aniline;N-benzyl-N-methylaniline
CID 163577424
N-benzyl-N-methyl-1-oxidopyridin-1-ium-4-amine
CID 67006779
N-benzyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280663
3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol
CID 95464250
2-(N-methyl-4-phenylanilino)ethanethiol
CID 115223791
3-[4-[benzyl(methyl)amino]phenyl]propanoic acid
CID 82305598
4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline
CID 149144793
N-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)aniline;octane
CID 145105907
ethane;N-methyl-4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]aniline;propane;1,3-xylene
CID 143911748
N,N-dimethyl-3-[(N-methylanilino)methyl]aniline
CID 99811191
2-(N-methyl-4-phenylanilino)acetonitrile
CID 115130840

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-phenylaniline?
The IUPAC name of N-benzyl-N-methyl-4-phenylaniline (CID 23459365) is N-benzyl-N-methyl-4-phenylaniline.
What is the SMILES notation for N-benzyl-N-methyl-4-phenylaniline?
The canonical SMILES for N-benzyl-N-methyl-4-phenylaniline is CN(Cc1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-methyl-4-phenylaniline?
The InChIKey is PBQHSYJQZJOQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-21(16-17-8-4-2-5-9-17)20-14-12-19(13-15-20)18-10-6-3-7-11-18/h2-15H,16H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-phenylaniline?
N-benzyl-N-methyl-4-phenylaniline has a molecular weight of 273.38 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-phenylaniline is sourced from PubChem (CID 23459365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).