N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline

C22H23N — CID 86720787

IUPACN-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C22H23N/c1-16-10-12-21(18(3)14-16)23(20-8-6-5-7-9-20)22-13-11-17(2)15-19(22)4/h5-15H,1-4H3
InChIKeyYKILHTKSSQZNAR-UHFFFAOYSA-N
MW301.43 g/mol
LogP6.39
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline

N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline (PubChem CID 86720787) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
PubChem CID86720787
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC NameN-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C22H23N/c1-16-10-12-21(18(3)14-16)23(20-8-6-5-7-9-20)22-13-11-17(2)15-19(22)4/h5-15H,1-4H3
InChIKeyYKILHTKSSQZNAR-UHFFFAOYSA-N
XLogP6.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 54226446
1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine
CID 11813371
[4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol
CID 20580195
N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline
CID 59920436
6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 67816340
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
9-N,15-N-bis(2,4-dimethylphenyl)-9-N,15-N-diphenyl-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 140738201
N-[4-[4-(2,4-dimethyl-N-[3-[2-methyl-5-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]-2,4-dimethyl-N-phenylaniline
CID 146251465
N,2-dimethyl-4-[3-methyl-4-(N-(4-methylphenyl)anilino)phenyl]-N-phenylaniline
CID 58038455
N-(2,4-dimethylphenyl)-N-phenylacetamide
CID 10537956
N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline
CID 118601843
2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline
CID 142315588

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline?
The IUPAC name of N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline (CID 86720787) is N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline?
The canonical SMILES for N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline is Cc1ccc(N(c2ccccc2)c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline?
The InChIKey is YKILHTKSSQZNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-16-10-12-21(18(3)14-16)23(20-8-6-5-7-9-20)22-13-11-17(2)15-19(22)4/h5-15H,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline?
N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline has a molecular weight of 301.43 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline is sourced from PubChem (CID 86720787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).