2,3,4-trimethyl-N,N-diphenylaniline

C21H21N — CID 122673091

IUPAC2,3,4-trimethyl-N,N-diphenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccccc2)c(C)c1C
InChIInChI=1S/C21H21N/c1-16-14-15-21(18(3)17(16)2)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
InChIKeyNIMWATABWXHMOZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP6.08
Rot. Bonds3

About 2,3,4-trimethyl-N,N-diphenylaniline

2,3,4-trimethyl-N,N-diphenylaniline (PubChem CID 122673091) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,3,4-trimethyl-N,N-diphenylaniline.

Molecular Properties

Compound Name2,3,4-trimethyl-N,N-diphenylaniline
PubChem CID122673091
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name2,3,4-trimethyl-N,N-diphenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccccc2)c(C)c1C
InChIInChI=1S/C21H21N/c1-16-14-15-21(18(3)17(16)2)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
InChIKeyNIMWATABWXHMOZ-UHFFFAOYSA-N
XLogP6.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N,3-N,4-N-tris(2-methylphenyl)-1-N,1-N,2-N,3-N,4-N-pentakis-phenylbenzene-1,2,3,4-tetramine
CID 69050247
3-methyl-4-(N-phenylanilino)benzene-1,2-diol
CID 67388163
2,3-dimethyl-N-(3-methylphenyl)-N-phenylaniline
CID 139772462
4-methyl-1-N,3-N-diphenyl-1-N,3-N-bis[4-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 158926819
2-methyl-1-N,3-N-bis[2-methyl-5-(N-phenylanilino)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 170274288
1-methyl-N-[4-[4-(N-(1-methylnaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 141305521
N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
8-N,23-N-bis(3,5-dimethylphenyl)-8-N,23-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine;8-N,23-N-diphenyl-8-N,23-N-bis(2,3,4-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine;8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 162086520
3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 54226446
2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 89074819
2,5-dimethyl-N-(3-methylphenyl)-N-phenylaniline
CID 58932053
2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 155431854

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-N,N-diphenylaniline?
The IUPAC name of 2,3,4-trimethyl-N,N-diphenylaniline (CID 122673091) is 2,3,4-trimethyl-N,N-diphenylaniline.
What is the SMILES notation for 2,3,4-trimethyl-N,N-diphenylaniline?
The canonical SMILES for 2,3,4-trimethyl-N,N-diphenylaniline is Cc1ccc(N(c2ccccc2)c2ccccc2)c(C)c1C.
What is the InChIKey of 2,3,4-trimethyl-N,N-diphenylaniline?
The InChIKey is NIMWATABWXHMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-16-14-15-21(18(3)17(16)2)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3.
What are the key properties of 2,3,4-trimethyl-N,N-diphenylaniline?
2,3,4-trimethyl-N,N-diphenylaniline has a molecular weight of 287.41 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-N,N-diphenylaniline is sourced from PubChem (CID 122673091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).