4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline

C20H28N2 — CID 22662689

IUPAC4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1Nc1ccc(CCCCN(C)C)cc1C
InChIInChI=1S/C20H28N2/c1-16-9-5-6-11-19(16)21-20-13-12-18(15-17(20)2)10-7-8-14-22(3)4/h5-6,9,11-13,15,21H,7-8,10,14H2,1-4H3
InChIKeyABKZTKWYNXYGJB-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.93
Rot. Bonds7

About 4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline

4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline (PubChem CID 22662689) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline
PubChem CID22662689
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1Nc1ccc(CCCCN(C)C)cc1C
InChIInChI=1S/C20H28N2/c1-16-9-5-6-11-19(16)21-20-13-12-18(15-17(20)2)10-7-8-14-22(3)4/h5-6,9,11-13,15,21H,7-8,10,14H2,1-4H3
InChIKeyABKZTKWYNXYGJB-UHFFFAOYSA-N
XLogP4.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline?
The IUPAC name of 4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline (CID 22662689) is 4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline.
What is the SMILES notation for 4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline?
The canonical SMILES for 4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline is Cc1ccccc1Nc1ccc(CCCCN(C)C)cc1C.
What is the InChIKey of 4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline?
The InChIKey is ABKZTKWYNXYGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-16-9-5-6-11-19(16)21-20-13-12-18(15-17(20)2)10-7-8-14-22(3)4/h5-6,9,11-13,15,21H,7-8,10,14H2,1-4H3.
What are the key properties of 4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline?
4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline has a molecular weight of 296.46 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)butyl]-2-methyl-N-(2-methylphenyl)aniline is sourced from PubChem (CID 22662689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).