N-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline

C24H35N — CID 163814484

IUPACN-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline
SMILESCc1cc(C)c(C)c(N(C)c2ccc(C(C)(C)C)cc2C(C)(C)C)c1
InChIInChI=1S/C24H35N/c1-16-13-17(2)18(3)22(14-16)25(10)21-12-11-19(23(4,5)6)15-20(21)24(7,8)9/h11-15H,1-10H3
InChIKeyWMVQQOGDQQQUOJ-UHFFFAOYSA-N
MW337.55 g/mol
LogP6.97
Rot. Bonds2

About N-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline

N-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline (PubChem CID 163814484) has the molecular formula C24H35N and a molecular weight of 337.55 g/mol. Its IUPAC name is N-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline.

Molecular Properties

Compound NameN-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline
PubChem CID163814484
Molecular FormulaC24H35N
Molecular Weight337.55 g/mol
Exact Mass337.28
IUPAC NameN-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline
SMILESCc1cc(C)c(C)c(N(C)c2ccc(C(C)(C)C)cc2C(C)(C)C)c1
InChIInChI=1S/C24H35N/c1-16-13-17(2)18(3)22(14-16)25(10)21-12-11-19(23(4,5)6)15-20(21)24(7,8)9/h11-15H,1-10H3
InChIKeyWMVQQOGDQQQUOJ-UHFFFAOYSA-N
XLogP6.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.55
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline?
The IUPAC name of N-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline (CID 163814484) is N-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline.
What is the SMILES notation for N-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline?
The canonical SMILES for N-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline is Cc1cc(C)c(C)c(N(C)c2ccc(C(C)(C)C)cc2C(C)(C)C)c1.
What is the InChIKey of N-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline?
The InChIKey is WMVQQOGDQQQUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N/c1-16-13-17(2)18(3)22(14-16)25(10)21-12-11-19(23(4,5)6)15-20(21)24(7,8)9/h11-15H,1-10H3.
What are the key properties of N-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline?
N-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline has a molecular weight of 337.55 g/mol, XLogP of 6.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-ditert-butylphenyl)-N,2,3,5-tetramethylaniline is sourced from PubChem (CID 163814484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).