3,5-dimethylaniline;2,4,6-trimethylaniline

C17H24N2 — CID 159725455

IUPAC3,5-dimethylaniline;2,4,6-trimethylaniline
SMILESCc1cc(C)c(N)c(C)c1.Cc1cc(C)cc(N)c1
InChIInChI=1S/C9H13N.C8H11N/c1-6-4-7(2)9(10)8(3)5-6;1-6-3-7(2)5-8(9)4-6/h4-5H,10H2,1-3H3;3-5H,9H2,1-2H3
InChIKeyNAOPEOZXWNIMNX-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.08
Rot. Bonds

About 3,5-dimethylaniline;2,4,6-trimethylaniline

3,5-dimethylaniline;2,4,6-trimethylaniline (PubChem CID 159725455) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3,5-dimethylaniline;2,4,6-trimethylaniline.

Molecular Properties

Compound Name3,5-dimethylaniline;2,4,6-trimethylaniline
PubChem CID159725455
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3,5-dimethylaniline;2,4,6-trimethylaniline
SMILESCc1cc(C)c(N)c(C)c1.Cc1cc(C)cc(N)c1
InChIInChI=1S/C9H13N.C8H11N/c1-6-4-7(2)9(10)8(3)5-6;1-6-3-7(2)5-8(9)4-6/h4-5H,10H2,1-3H3;3-5H,9H2,1-2H3
InChIKeyNAOPEOZXWNIMNX-UHFFFAOYSA-N
XLogP4.08
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cobalt;2,4,6-trimethylaniline
CID 159454360
3,5-dimethylaniline;hydrofluoride
CID 158073989
N,N-dideuterio-2,4,6-trimethylaniline
CID 138396120
3,5-dimethyl-4-(2,4,6-trimethylphenoxy)aniline
CID 167658948
2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline
CID 18699529
2,4,6-tritert-butylaniline;2,4,6-trimethylaniline
CID 67732973
bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride
CID 69109128
1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
CID 57130016
2,4-dimethyl-6-thionitrosoaniline
CID 123917345
2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane
CID 157177077
3-chloro-5-methylaniline;ethane
CID 142083431
4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride
CID 51066481

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylaniline;2,4,6-trimethylaniline?
The IUPAC name of 3,5-dimethylaniline;2,4,6-trimethylaniline (CID 159725455) is 3,5-dimethylaniline;2,4,6-trimethylaniline.
What is the SMILES notation for 3,5-dimethylaniline;2,4,6-trimethylaniline?
The canonical SMILES for 3,5-dimethylaniline;2,4,6-trimethylaniline is Cc1cc(C)c(N)c(C)c1.Cc1cc(C)cc(N)c1.
What is the InChIKey of 3,5-dimethylaniline;2,4,6-trimethylaniline?
The InChIKey is NAOPEOZXWNIMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C8H11N/c1-6-4-7(2)9(10)8(3)5-6;1-6-3-7(2)5-8(9)4-6/h4-5H,10H2,1-3H3;3-5H,9H2,1-2H3.
What are the key properties of 3,5-dimethylaniline;2,4,6-trimethylaniline?
3,5-dimethylaniline;2,4,6-trimethylaniline has a molecular weight of 256.39 g/mol, XLogP of 4.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylaniline;2,4,6-trimethylaniline is sourced from PubChem (CID 159725455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).