4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol

C23H33NO — CID 155520789

IUPAC4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol
SMILESCCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(N(C)C)c(C)c1
InChIInChI=1S/C23H33NO/c1-7-13-23(14-8-2,20-10-12-22(25)18(4)16-20)19-9-11-21(24(5)6)17(3)15-19/h9-12,15-16,25H,7-8,13-14H2,1-6H3
InChIKeyYDGXBCVJTLQJEN-UHFFFAOYSA-N
MW339.52 g/mol
LogP5.96
Rot. Bonds7

About 4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol

4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol (PubChem CID 155520789) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol
PubChem CID155520789
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol
SMILESCCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(N(C)C)c(C)c1
InChIInChI=1S/C23H33NO/c1-7-13-23(14-8-2,20-10-12-22(25)18(4)16-20)19-9-11-21(24(5)6)17(3)15-19/h9-12,15-16,25H,7-8,13-14H2,1-6H3
InChIKeyYDGXBCVJTLQJEN-UHFFFAOYSA-N
XLogP5.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol?
The IUPAC name of 4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol (CID 155520789) is 4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol.
What is the SMILES notation for 4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol?
The canonical SMILES for 4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol is CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(N(C)C)c(C)c1.
What is the InChIKey of 4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol?
The InChIKey is YDGXBCVJTLQJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-7-13-23(14-8-2,20-10-12-22(25)18(4)16-20)19-9-11-21(24(5)6)17(3)15-19/h9-12,15-16,25H,7-8,13-14H2,1-6H3.
What are the key properties of 4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol?
4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol has a molecular weight of 339.52 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(dimethylamino)-3-methylphenyl]heptan-4-yl]-2-methylphenol is sourced from PubChem (CID 155520789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).