4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline

C18H23N — CID 58536659

IUPAC4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline
SMILESCc1ccc(Cc2ccc(N(C)C)cc2C)c(C)c1
InChIInChI=1S/C18H23N/c1-13-6-7-16(14(2)10-13)12-17-8-9-18(19(4)5)11-15(17)3/h6-11H,12H2,1-5H3
InChIKeyQHYKVYVRNDHUQS-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.27
Rot. Bonds3

About 4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline

4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline (PubChem CID 58536659) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline
PubChem CID58536659
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline
SMILESCc1ccc(Cc2ccc(N(C)C)cc2C)c(C)c1
InChIInChI=1S/C18H23N/c1-13-6-7-16(14(2)10-13)12-17-8-9-18(19(4)5)11-15(17)3/h6-11H,12H2,1-5H3
InChIKeyQHYKVYVRNDHUQS-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N,3-trimethyl-4-(methylaminomethyl)aniline
CID 62135688
4-(chloromethyl)-N,N,3-trimethylaniline
CID 62130656
N,N,3,4-tetramethylaniline
CID 12595466
2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine
CID 166117253
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 162304055
2,4-dichloro-1-[(2,4-dimethylphenyl)methyl]benzene
CID 57116365
4-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-N-methylaniline
CID 115212798
N,N-dimethyl-6-(4-methylphenyl)naphthalen-2-amine
CID 118447014
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7778606
4-N,4-N,2-trimethyl-1-N-[(2,4,5-trimethylphenyl)methyl]benzene-1,4-diamine
CID 43779648
N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline
CID 107274862

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline?
The IUPAC name of 4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline (CID 58536659) is 4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline?
The canonical SMILES for 4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline is Cc1ccc(Cc2ccc(N(C)C)cc2C)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline?
The InChIKey is QHYKVYVRNDHUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-13-6-7-16(14(2)10-13)12-17-8-9-18(19(4)5)11-15(17)3/h6-11H,12H2,1-5H3.
What are the key properties of 4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline?
4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline has a molecular weight of 253.39 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)methyl]-N,N,3-trimethylaniline is sourced from PubChem (CID 58536659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).