1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine

C16H20N2 — CID 18736513

IUPAC1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(N(C)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H20N2/c1-13-5-7-15(8-6-13)18(4)16-11-9-14(10-12-16)17(2)3/h5-12H,1-4H3
InChIKeySXQXQKITBIOALE-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.83
Rot. Bonds3

About 1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine

1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine (PubChem CID 18736513) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
PubChem CID18736513
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
SMILESCc1ccc(N(C)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H20N2/c1-13-5-7-15(8-6-13)18(4)16-11-9-14(10-12-16)17(2)3/h5-12H,1-4H3
InChIKeySXQXQKITBIOALE-UHFFFAOYSA-N
XLogP3.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
CID 142497579
ethenol;N,N,4-trimethylaniline
CID 161109749
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
N,4-dimethyl-N-phenylaniline;ethane;toluene
CID 143203824
N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 72543320
N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline
CID 23597856
N-[4-[dimethyl-(4-methylphenyl)silyl]phenyl]-N,4-dimethylaniline
CID 23593172
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
N,2,3,4,5,6-hexamethyl-N-(4-methylphenyl)aniline
CID 134561307

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine (CID 18736513) is 1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine is Cc1ccc(N(C)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine?
The InChIKey is SXQXQKITBIOALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13-5-7-15(8-6-13)18(4)16-11-9-14(10-12-16)17(2)3/h5-12H,1-4H3.
What are the key properties of 1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine?
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 18736513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).