N,N-bis(2-tert-butylphenyl)-2-methyl-6-(trideuteriomethyl)aniline

C28H35N — CID 157361716

IUPACN,N-bis(2-tert-butylphenyl)-2-methyl-6-(trideuteriomethyl)aniline
SMILES[2H]C([2H])([2H])c1cccc(C)c1N(c1ccccc1C(C)(C)C)c1ccccc1C(C)(C)C
InChIInChI=1S/C28H35N/c1-20-14-13-15-21(2)26(20)29(24-18-11-9-16-22(24)27(3,4)5)25-19-12-10-17-23(25)28(6,7)8/h9-19H,1-8H3/i1D3
InChIKeyVILQQXUFMUALCC-FIBGUPNXSA-N
MW388.61 g/mol
LogP8.37
Rot. Bonds4

About N,N-bis(2-tert-butylphenyl)-2-methyl-6-(trideuteriomethyl)aniline

N,N-bis(2-tert-butylphenyl)-2-methyl-6-(trideuteriomethyl)aniline (PubChem CID 157361716) has the molecular formula C28H35N and a molecular weight of 388.61 g/mol. Its IUPAC name is N,N-bis(2-tert-butylphenyl)-2-methyl-6-(trideuteriomethyl)aniline.

Molecular Properties

Compound NameN,N-bis(2-tert-butylphenyl)-2-methyl-6-(trideuteriomethyl)aniline
PubChem CID157361716
Molecular FormulaC28H35N
Molecular Weight388.61 g/mol
Exact Mass388.30
IUPAC NameN,N-bis(2-tert-butylphenyl)-2-methyl-6-(trideuteriomethyl)aniline
SMILES[2H]C([2H])([2H])c1cccc(C)c1N(c1ccccc1C(C)(C)C)c1ccccc1C(C)(C)C
InChIInChI=1S/C28H35N/c1-20-14-13-15-21(2)26(20)29(24-18-11-9-16-22(24)27(3,4)5)25-19-12-10-17-23(25)28(6,7)8/h9-19H,1-8H3/i1D3
InChIKeyVILQQXUFMUALCC-FIBGUPNXSA-N
XLogP8.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.61
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-tert-butylphenyl)-2-methyl-6-(trideuteriomethyl)aniline?
The IUPAC name of N,N-bis(2-tert-butylphenyl)-2-methyl-6-(trideuteriomethyl)aniline (CID 157361716) is N,N-bis(2-tert-butylphenyl)-2-methyl-6-(trideuteriomethyl)aniline.
What is the SMILES notation for N,N-bis(2-tert-butylphenyl)-2-methyl-6-(trideuteriomethyl)aniline?
The canonical SMILES for N,N-bis(2-tert-butylphenyl)-2-methyl-6-(trideuteriomethyl)aniline is [2H]C([2H])([2H])c1cccc(C)c1N(c1ccccc1C(C)(C)C)c1ccccc1C(C)(C)C.
What is the InChIKey of N,N-bis(2-tert-butylphenyl)-2-methyl-6-(trideuteriomethyl)aniline?
The InChIKey is VILQQXUFMUALCC-FIBGUPNXSA-N. The full InChI is InChI=1S/C28H35N/c1-20-14-13-15-21(2)26(20)29(24-18-11-9-16-22(24)27(3,4)5)25-19-12-10-17-23(25)28(6,7)8/h9-19H,1-8H3/i1D3.
What are the key properties of N,N-bis(2-tert-butylphenyl)-2-methyl-6-(trideuteriomethyl)aniline?
N,N-bis(2-tert-butylphenyl)-2-methyl-6-(trideuteriomethyl)aniline has a molecular weight of 388.61 g/mol, XLogP of 8.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-tert-butylphenyl)-2-methyl-6-(trideuteriomethyl)aniline is sourced from PubChem (CID 157361716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).