N,4-dimethyl-N-phenylaniline;ethane;toluene

C30H37N — CID 143203824

IUPACN,4-dimethyl-N-phenylaniline;ethane;toluene
SMILESCC.Cc1ccc(N(C)c2ccccc2)cc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C14H15N.2C7H8.C2H6/c1-12-8-10-14(11-9-12)15(2)13-6-4-3-5-7-13;2*1-7-5-3-2-4-6-7;1-2/h3-11H,1-2H3;2*2-6H,1H3;1-2H3
InChIKeyATDOGCAHNWQJFA-UHFFFAOYSA-N
MW411.63 g/mol
LogP8.78
Rot. Bonds2

About N,4-dimethyl-N-phenylaniline;ethane;toluene

N,4-dimethyl-N-phenylaniline;ethane;toluene (PubChem CID 143203824) has the molecular formula C30H37N and a molecular weight of 411.63 g/mol. Its IUPAC name is N,4-dimethyl-N-phenylaniline;ethane;toluene.

Molecular Properties

Compound NameN,4-dimethyl-N-phenylaniline;ethane;toluene
PubChem CID143203824
Molecular FormulaC30H37N
Molecular Weight411.63 g/mol
Exact Mass411.29
IUPAC NameN,4-dimethyl-N-phenylaniline;ethane;toluene
SMILESCC.Cc1ccc(N(C)c2ccccc2)cc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C14H15N.2C7H8.C2H6/c1-12-8-10-14(11-9-12)15(2)13-6-4-3-5-7-13;2*1-7-5-3-2-4-6-7;1-2/h3-11H,1-2H3;2*2-6H,1H3;1-2H3
InChIKeyATDOGCAHNWQJFA-UHFFFAOYSA-N
XLogP8.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
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-methyl-N-phenylaniline;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene
CID 157193805
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
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
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline
CID 155621570
4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline
CID 23593074
4-methyl-N,N-diphenylaniline;3-methyl-N-(3-methylphenyl)-N-(4-methylphenyl)aniline;N-methyl-N-phenylaniline;4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 160844016
N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline
CID 58151391
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-phenylaniline;ethane;toluene?
The IUPAC name of N,4-dimethyl-N-phenylaniline;ethane;toluene (CID 143203824) is N,4-dimethyl-N-phenylaniline;ethane;toluene.
What is the SMILES notation for N,4-dimethyl-N-phenylaniline;ethane;toluene?
The canonical SMILES for N,4-dimethyl-N-phenylaniline;ethane;toluene is CC.Cc1ccc(N(C)c2ccccc2)cc1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of N,4-dimethyl-N-phenylaniline;ethane;toluene?
The InChIKey is ATDOGCAHNWQJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.2C7H8.C2H6/c1-12-8-10-14(11-9-12)15(2)13-6-4-3-5-7-13;2*1-7-5-3-2-4-6-7;1-2/h3-11H,1-2H3;2*2-6H,1H3;1-2H3.
What are the key properties of N,4-dimethyl-N-phenylaniline;ethane;toluene?
N,4-dimethyl-N-phenylaniline;ethane;toluene has a molecular weight of 411.63 g/mol, XLogP of 8.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-phenylaniline;ethane;toluene is sourced from PubChem (CID 143203824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).