N-(3,4-dimethylphenyl)-3,4-dimethylaniline

C16H19N — CID 614511

IUPACN-(3,4-dimethylphenyl)-3,4-dimethylaniline
SMILESCc1ccc(Nc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C16H19N/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h5-10,17H,1-4H3
InChIKeyIMQQPEKHINRTCE-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.66
Rot. Bonds2

About N-(3,4-dimethylphenyl)-3,4-dimethylaniline

N-(3,4-dimethylphenyl)-3,4-dimethylaniline (PubChem CID 614511) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3,4-dimethylaniline.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3,4-dimethylaniline
PubChem CID614511
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC NameN-(3,4-dimethylphenyl)-3,4-dimethylaniline
SMILESCc1ccc(Nc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C16H19N/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h5-10,17H,1-4H3
InChIKeyIMQQPEKHINRTCE-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phenyl-1-naphthylamine
CID 7013
N-phenyl-2-naphthylamine
CID 8679
3,4-Dimethylaniline
CID 7248
Dibenz(b,f)azepine
CID 9212
4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
N,N'-Diacetylbenzidine
CID 11942
Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-
CID 82343
N,N'-Di(2-naphthyl)-p-phenylenediamine
CID 7142
4,4'-Dioctyldiphenylamine
CID 7569
1,2-Dihydro-2,2,4-trimethyl-6-phenylquinoline
CID 77098
N-(3-Methylphenyl)aniline
CID 14569
4-Dimethylaminostilbene
CID 640024

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3,4-dimethylaniline?
The IUPAC name of N-(3,4-dimethylphenyl)-3,4-dimethylaniline (CID 614511) is N-(3,4-dimethylphenyl)-3,4-dimethylaniline.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3,4-dimethylaniline?
The canonical SMILES for N-(3,4-dimethylphenyl)-3,4-dimethylaniline is Cc1ccc(Nc2ccc(C)c(C)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3,4-dimethylaniline?
The InChIKey is IMQQPEKHINRTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h5-10,17H,1-4H3.
What are the key properties of N-(3,4-dimethylphenyl)-3,4-dimethylaniline?
N-(3,4-dimethylphenyl)-3,4-dimethylaniline has a molecular weight of 225.33 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3,4-dimethylaniline is sourced from PubChem (CID 614511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).