4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene

C24H30N2 — CID 70469901

IUPAC4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene
SMILESCN(C)c1ccc(Cc2ccc(N(C)C)cc2)cc1.Cc1ccccc1
InChIInChI=1S/C17H22N2.C7H8/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4;1-7-5-3-2-4-6-7/h5-12H,13H2,1-4H3;2-6H,1H3
InChIKeyRDMDEGMYWALSMX-UHFFFAOYSA-N
MW346.52 g/mol
LogP5.40
Rot. Bonds4

About 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene

4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene (PubChem CID 70469901) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene
PubChem CID70469901
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Name4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene
SMILESCN(C)c1ccc(Cc2ccc(N(C)C)cc2)cc1.Cc1ccccc1
InChIInChI=1S/C17H22N2.C7H8/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4;1-7-5-3-2-4-6-7/h5-12H,13H2,1-4H3;2-6H,1H3
InChIKeyRDMDEGMYWALSMX-UHFFFAOYSA-N
XLogP5.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
1-benzyl-4-methylbenzene;toluene
CID 144690555
bis(N,N-dimethylaniline);bis(N,N-dimethylmethanamine);ethane;toluene
CID 159937549
benzylbenzene;propane;toluene
CID 90753545
N,N-dimethylaniline
CID 70392672
4-[[4-[bis(chloromethyl)amino]phenyl]methyl]-N,N-dimethylaniline
CID 141389552
N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline
CID 166067979
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
CID 69241188
CID 69241188
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydrofluoride
CID 160775229
1,4-dibenzylbenzene;ethane
CID 91406396

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene (CID 70469901) is 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene is CN(C)c1ccc(Cc2ccc(N(C)C)cc2)cc1.Cc1ccccc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene?
The InChIKey is RDMDEGMYWALSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2.C7H8/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4;1-7-5-3-2-4-6-7/h5-12H,13H2,1-4H3;2-6H,1H3.
What are the key properties of 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene?
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene has a molecular weight of 346.52 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene is sourced from PubChem (CID 70469901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).