3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline

C23H25N — CID 139519281

IUPAC3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline
SMILESCCc1cccc(N(c2ccc(C)cc2)c2cccc(CC)c2)c1
InChIInChI=1S/C23H25N/c1-4-19-8-6-10-22(16-19)24(21-14-12-18(3)13-15-21)23-11-7-9-20(5-2)17-23/h6-17H,4-5H2,1-3H3
InChIKeyWBXFDKZUCFCQDH-UHFFFAOYSA-N
MW315.46 g/mol
LogP6.59
Rot. Bonds5

About 3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline

3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline (PubChem CID 139519281) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline
PubChem CID139519281
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline
SMILESCCc1cccc(N(c2ccc(C)cc2)c2cccc(CC)c2)c1
InChIInChI=1S/C23H25N/c1-4-19-8-6-10-22(16-19)24(21-14-12-18(3)13-15-21)23-11-7-9-20(5-2)17-23/h6-17H,4-5H2,1-3H3
InChIKeyWBXFDKZUCFCQDH-UHFFFAOYSA-N
XLogP6.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-[4-(N-(3-ethylphenyl)-3-methylanilino)phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 154529575
N-(4-ethylphenyl)-4-methyl-N-phenylaniline
CID 58800452
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
ethane;3-ethylbenzonitrile;N-(4-methylphenyl)-N,3-diphenylaniline
CID 143269249
1,3-diethylbenzene;1,4-diethylbenzene;methane;1,4-xylene
CID 158740154
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
1-N,1-N-diethyl-3-N-(4-methylphenyl)-3-N-[4-(4-methylphenyl)phenyl]benzene-1,3-diamine
CID 20761234
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline
CID 101074585

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline?
The IUPAC name of 3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline (CID 139519281) is 3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline.
What is the SMILES notation for 3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline?
The canonical SMILES for 3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline is CCc1cccc(N(c2ccc(C)cc2)c2cccc(CC)c2)c1.
What is the InChIKey of 3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline?
The InChIKey is WBXFDKZUCFCQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-4-19-8-6-10-22(16-19)24(21-14-12-18(3)13-15-21)23-11-7-9-20(5-2)17-23/h6-17H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline?
3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline has a molecular weight of 315.46 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline is sourced from PubChem (CID 139519281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).