N-(4-ethylphenyl)-4-methyl-N-phenylaniline

C21H21N — CID 58800452

IUPACN-(4-ethylphenyl)-4-methyl-N-phenylaniline
SMILESCCc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21N/c1-3-18-11-15-21(16-12-18)22(19-7-5-4-6-8-19)20-13-9-17(2)10-14-20/h4-16H,3H2,1-2H3
InChIKeyINPPTGMXUOBGFY-UHFFFAOYSA-N
MW287.41 g/mol
LogP6.03
Rot. Bonds4

About N-(4-ethylphenyl)-4-methyl-N-phenylaniline

N-(4-ethylphenyl)-4-methyl-N-phenylaniline (PubChem CID 58800452) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-methyl-N-phenylaniline
PubChem CID58800452
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC NameN-(4-ethylphenyl)-4-methyl-N-phenylaniline
SMILESCCc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21N/c1-3-18-11-15-21(16-12-18)22(19-7-5-4-6-8-19)20-13-9-17(2)10-14-20/h4-16H,3H2,1-2H3
InChIKeyINPPTGMXUOBGFY-UHFFFAOYSA-N
XLogP6.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(N-(4-ethylphenyl)-4-methylanilino)phenyl]methanol;[4-(N-[4-(hydroxymethyl)phenyl]anilino)phenyl]methanol
CID 159917038
ethane;4-ethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 91530733
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
CID 123858491
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
4-ethyl-N-(4-fluorophenyl)-N-phenylaniline
CID 154721984

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-methyl-N-phenylaniline?
The IUPAC name of N-(4-ethylphenyl)-4-methyl-N-phenylaniline (CID 58800452) is N-(4-ethylphenyl)-4-methyl-N-phenylaniline.
What is the SMILES notation for N-(4-ethylphenyl)-4-methyl-N-phenylaniline?
The canonical SMILES for N-(4-ethylphenyl)-4-methyl-N-phenylaniline is CCc1ccc(N(c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-methyl-N-phenylaniline?
The InChIKey is INPPTGMXUOBGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-3-18-11-15-21(16-12-18)22(19-7-5-4-6-8-19)20-13-9-17(2)10-14-20/h4-16H,3H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-4-methyl-N-phenylaniline?
N-(4-ethylphenyl)-4-methyl-N-phenylaniline has a molecular weight of 287.41 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-methyl-N-phenylaniline is sourced from PubChem (CID 58800452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).