2,4-dimethylaniline;4-propan-2-ylaniline

C17H24N2 — CID 158951075

IUPAC2,4-dimethylaniline;4-propan-2-ylaniline
SMILESCC(C)c1ccc(N)cc1.Cc1ccc(N)c(C)c1
InChIInChI=1S/C9H13N.C8H11N/c1-7(2)8-3-5-9(10)6-4-8;1-6-3-4-8(9)7(2)5-6/h3-7H,10H2,1-2H3;3-5H,9H2,1-2H3
InChIKeyJLKWUUFIJOPCFI-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.28
Rot. Bonds1

About 2,4-dimethylaniline;4-propan-2-ylaniline

2,4-dimethylaniline;4-propan-2-ylaniline (PubChem CID 158951075) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,4-dimethylaniline;4-propan-2-ylaniline.

Molecular Properties

Compound Name2,4-dimethylaniline;4-propan-2-ylaniline
PubChem CID158951075
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2,4-dimethylaniline;4-propan-2-ylaniline
SMILESCC(C)c1ccc(N)cc1.Cc1ccc(N)c(C)c1
InChIInChI=1S/C9H13N.C8H11N/c1-7(2)8-3-5-9(10)6-4-8;1-6-3-4-8(9)7(2)5-6/h3-7H,10H2,1-2H3;3-5H,9H2,1-2H3
InChIKeyJLKWUUFIJOPCFI-UHFFFAOYSA-N
XLogP4.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.28
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

2,4-dimethylaniline;methanol
CID 70633605
(4-amino-3-methylphenyl)-(4-propan-2-ylphenyl)methanol
CID 91678464
4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine
CID 115126227
4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline
CID 116952017
aniline;1-methyl-4-propan-2-ylbenzene
CID 19435769
4-(4-amino-3-methylphenyl)-2-methylaniline;carbanide;ethane;4-methylaniline;yttrium
CID 159328687
1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene
CID 165068605
2-methylbenzene-1,4-diamine;sulfane
CID 174900310
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
ethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene
CID 162748725
1-methyl-3-propan-2-ylbenzene;2-propan-2-ylaniline;4-propan-2-ylaniline
CID 159752223
2,4-dimethylaniline;sulfuric acid;hydrate
CID 131846787

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylaniline;4-propan-2-ylaniline?
The IUPAC name of 2,4-dimethylaniline;4-propan-2-ylaniline (CID 158951075) is 2,4-dimethylaniline;4-propan-2-ylaniline.
What is the SMILES notation for 2,4-dimethylaniline;4-propan-2-ylaniline?
The canonical SMILES for 2,4-dimethylaniline;4-propan-2-ylaniline is CC(C)c1ccc(N)cc1.Cc1ccc(N)c(C)c1.
What is the InChIKey of 2,4-dimethylaniline;4-propan-2-ylaniline?
The InChIKey is JLKWUUFIJOPCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C8H11N/c1-7(2)8-3-5-9(10)6-4-8;1-6-3-4-8(9)7(2)5-6/h3-7H,10H2,1-2H3;3-5H,9H2,1-2H3.
What are the key properties of 2,4-dimethylaniline;4-propan-2-ylaniline?
2,4-dimethylaniline;4-propan-2-ylaniline has a molecular weight of 256.39 g/mol, XLogP of 4.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylaniline;4-propan-2-ylaniline is sourced from PubChem (CID 158951075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).