3-tert-butyl-4-[2-tert-butyl-4-(dimethylamino)phenyl]-N,N-dimethylaniline

C24H36N2 — CID 169016365

IUPAC3-tert-butyl-4-[2-tert-butyl-4-(dimethylamino)phenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccc(N(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C24H36N2/c1-23(2,3)21-15-17(25(7)8)11-13-19(21)20-14-12-18(26(9)10)16-22(20)24(4,5)6/h11-16H,1-10H3
InChIKeyWXCOECCOAXATBR-UHFFFAOYSA-N
MW352.57 g/mol
LogP6.08
Rot. Bonds3

About 3-tert-butyl-4-[2-tert-butyl-4-(dimethylamino)phenyl]-N,N-dimethylaniline

3-tert-butyl-4-[2-tert-butyl-4-(dimethylamino)phenyl]-N,N-dimethylaniline (PubChem CID 169016365) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 3-tert-butyl-4-[2-tert-butyl-4-(dimethylamino)phenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-tert-butyl-4-[2-tert-butyl-4-(dimethylamino)phenyl]-N,N-dimethylaniline
PubChem CID169016365
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC Name3-tert-butyl-4-[2-tert-butyl-4-(dimethylamino)phenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccc(N(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C24H36N2/c1-23(2,3)21-15-17(25(7)8)11-13-19(21)20-14-12-18(26(9)10)16-22(20)24(4,5)6/h11-16H,1-10H3
InChIKeyWXCOECCOAXATBR-UHFFFAOYSA-N
XLogP6.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-[2-tert-butyl-4-(dimethylamino)phenyl]-N,N-dimethylaniline?
The IUPAC name of 3-tert-butyl-4-[2-tert-butyl-4-(dimethylamino)phenyl]-N,N-dimethylaniline (CID 169016365) is 3-tert-butyl-4-[2-tert-butyl-4-(dimethylamino)phenyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-tert-butyl-4-[2-tert-butyl-4-(dimethylamino)phenyl]-N,N-dimethylaniline?
The canonical SMILES for 3-tert-butyl-4-[2-tert-butyl-4-(dimethylamino)phenyl]-N,N-dimethylaniline is CN(C)c1ccc(-c2ccc(N(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-4-[2-tert-butyl-4-(dimethylamino)phenyl]-N,N-dimethylaniline?
The InChIKey is WXCOECCOAXATBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2/c1-23(2,3)21-15-17(25(7)8)11-13-19(21)20-14-12-18(26(9)10)16-22(20)24(4,5)6/h11-16H,1-10H3.
What are the key properties of 3-tert-butyl-4-[2-tert-butyl-4-(dimethylamino)phenyl]-N,N-dimethylaniline?
3-tert-butyl-4-[2-tert-butyl-4-(dimethylamino)phenyl]-N,N-dimethylaniline has a molecular weight of 352.57 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-[2-tert-butyl-4-(dimethylamino)phenyl]-N,N-dimethylaniline is sourced from PubChem (CID 169016365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).