N-tert-butyl-3,4,5-trimethyl-N-(3,4,5-trimethylphenyl)aniline

C22H31N — CID 90347184

IUPACN-tert-butyl-3,4,5-trimethyl-N-(3,4,5-trimethylphenyl)aniline
SMILESCc1cc(N(c2cc(C)c(C)c(C)c2)C(C)(C)C)cc(C)c1C
InChIInChI=1S/C22H31N/c1-14-10-20(11-15(2)18(14)5)23(22(7,8)9)21-12-16(3)19(6)17(4)13-21/h10-13H,1-9H3
InChIKeyBYKODLBSSBLKQB-UHFFFAOYSA-N
MW309.50 g/mol
LogP6.47
Rot. Bonds2

About N-tert-butyl-3,4,5-trimethyl-N-(3,4,5-trimethylphenyl)aniline

N-tert-butyl-3,4,5-trimethyl-N-(3,4,5-trimethylphenyl)aniline (PubChem CID 90347184) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is N-tert-butyl-3,4,5-trimethyl-N-(3,4,5-trimethylphenyl)aniline.

Molecular Properties

Compound NameN-tert-butyl-3,4,5-trimethyl-N-(3,4,5-trimethylphenyl)aniline
PubChem CID90347184
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC NameN-tert-butyl-3,4,5-trimethyl-N-(3,4,5-trimethylphenyl)aniline
SMILESCc1cc(N(c2cc(C)c(C)c(C)c2)C(C)(C)C)cc(C)c1C
InChIInChI=1S/C22H31N/c1-14-10-20(11-15(2)18(14)5)23(22(7,8)9)21-12-16(3)19(6)17(4)13-21/h10-13H,1-9H3
InChIKeyBYKODLBSSBLKQB-UHFFFAOYSA-N
XLogP6.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,4,5-trimethyl-N-(3,4,5-trimethylphenyl)aniline?
The IUPAC name of N-tert-butyl-3,4,5-trimethyl-N-(3,4,5-trimethylphenyl)aniline (CID 90347184) is N-tert-butyl-3,4,5-trimethyl-N-(3,4,5-trimethylphenyl)aniline.
What is the SMILES notation for N-tert-butyl-3,4,5-trimethyl-N-(3,4,5-trimethylphenyl)aniline?
The canonical SMILES for N-tert-butyl-3,4,5-trimethyl-N-(3,4,5-trimethylphenyl)aniline is Cc1cc(N(c2cc(C)c(C)c(C)c2)C(C)(C)C)cc(C)c1C.
What is the InChIKey of N-tert-butyl-3,4,5-trimethyl-N-(3,4,5-trimethylphenyl)aniline?
The InChIKey is BYKODLBSSBLKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N/c1-14-10-20(11-15(2)18(14)5)23(22(7,8)9)21-12-16(3)19(6)17(4)13-21/h10-13H,1-9H3.
What are the key properties of N-tert-butyl-3,4,5-trimethyl-N-(3,4,5-trimethylphenyl)aniline?
N-tert-butyl-3,4,5-trimethyl-N-(3,4,5-trimethylphenyl)aniline has a molecular weight of 309.50 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,4,5-trimethyl-N-(3,4,5-trimethylphenyl)aniline is sourced from PubChem (CID 90347184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).