N-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline

C28H35N — CID 162698304

IUPACN-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline
SMILESCc1ccccc1-c1ccc(N(c2ccc(C(C)(C)C)cc2)C(C)(C)C)cc1C
InChIInChI=1S/C28H35N/c1-20-11-9-10-12-25(20)26-18-17-24(19-21(26)2)29(28(6,7)8)23-15-13-22(14-16-23)27(3,4)5/h9-19H,1-8H3
InChIKeyNFQRCUXXTLXKGC-UHFFFAOYSA-N
MW385.60 g/mol
LogP8.20
Rot. Bonds3

About N-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline

N-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline (PubChem CID 162698304) has the molecular formula C28H35N and a molecular weight of 385.60 g/mol. Its IUPAC name is N-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline.

Molecular Properties

Compound NameN-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline
PubChem CID162698304
Molecular FormulaC28H35N
Molecular Weight385.60 g/mol
Exact Mass385.28
IUPAC NameN-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline
SMILESCc1ccccc1-c1ccc(N(c2ccc(C(C)(C)C)cc2)C(C)(C)C)cc1C
InChIInChI=1S/C28H35N/c1-20-11-9-10-12-25(20)26-18-17-24(19-21(26)2)29(28(6,7)8)23-15-13-22(14-16-23)27(3,4)5/h9-19H,1-8H3
InChIKeyNFQRCUXXTLXKGC-UHFFFAOYSA-N
XLogP8.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline?
The IUPAC name of N-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline (CID 162698304) is N-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline.
What is the SMILES notation for N-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline?
The canonical SMILES for N-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline is Cc1ccccc1-c1ccc(N(c2ccc(C(C)(C)C)cc2)C(C)(C)C)cc1C.
What is the InChIKey of N-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline?
The InChIKey is NFQRCUXXTLXKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N/c1-20-11-9-10-12-25(20)26-18-17-24(19-21(26)2)29(28(6,7)8)23-15-13-22(14-16-23)27(3,4)5/h9-19H,1-8H3.
What are the key properties of N-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline?
N-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline has a molecular weight of 385.60 g/mol, XLogP of 8.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline is sourced from PubChem (CID 162698304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).