N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane

C25H31N — CID 143481987

IUPACN-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
SMILESCC.Cc1ccc(N(c2ccc(C)c(C)c2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H25N.C2H6/c1-16-6-10-21(11-7-16)24(22-12-8-17(2)19(4)14-22)23-13-9-18(3)20(5)15-23;1-2/h6-15H,1-5H3;1-2H3
InChIKeyHRRPPZNXZMHZPB-UHFFFAOYSA-N
MW345.53 g/mol
LogP7.72
Rot. Bonds3

About N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane

N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane (PubChem CID 143481987) has the molecular formula C25H31N and a molecular weight of 345.53 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
PubChem CID143481987
Molecular FormulaC25H31N
Molecular Weight345.53 g/mol
Exact Mass345.25
IUPAC NameN-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
SMILESCC.Cc1ccc(N(c2ccc(C)c(C)c2)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H25N.C2H6/c1-16-6-10-21(11-7-16)24(22-12-8-17(2)19(4)14-22)23-13-9-18(3)20(5)15-23;1-2/h6-15H,1-5H3;1-2H3
InChIKeyHRRPPZNXZMHZPB-UHFFFAOYSA-N
XLogP7.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[2-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 123191031
N-[4-[4-(N-(3,4-dimethylphenyl)-4-methylanilino)phenoxy]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 71277268
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
N-[4-[4-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]phenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 137434908
N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline
CID 22630576
5-(N-(3-hydroxy-4-methylphenyl)-4-methylanilino)-2-methylphenol
CID 170298628
N-[4-[4-[N-(3,4-dimethylphenyl)-4-(4-methylphenyl)anilino]phenoxy]phenyl]-N,3,4-trimethylaniline
CID 23593145
ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
CID 143762169
N-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(3,4-dimethylphenyl)-(4-methylphenyl)methyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,4-dimethyl-N-(4-methylphenyl)aniline
CID 134272422
[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
CID 54528653
2-N,8-N-bis(3,4-dimethylphenyl)-2-N-methyl-8-N-[4-(4-methylphenyl)phenyl]dibenzothiophene-2,8-diamine
CID 23593407

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane?
The IUPAC name of N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane (CID 143481987) is N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane?
The canonical SMILES for N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane is CC.Cc1ccc(N(c2ccc(C)c(C)c2)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane?
The InChIKey is HRRPPZNXZMHZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N.C2H6/c1-16-6-10-21(11-7-16)24(22-12-8-17(2)19(4)14-22)23-13-9-18(3)20(5)15-23;1-2/h6-15H,1-5H3;1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane?
N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane has a molecular weight of 345.53 g/mol, XLogP of 7.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane is sourced from PubChem (CID 143481987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).