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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Related Compounds

N,4-ditert-butyl-N-phenylaniline
CID 91172141
N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline
CID 90222675
4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134426365
N-tert-butyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 23150330
N-[3-(4-tert-butylphenyl)-4-[2-(4-tert-butylphenyl)-4-(4-ethyl-N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-(4-ethylphenyl)fluoranthen-3-amine;N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-N-(4-methylphenyl)fluoranthen-3-amine;N-[4-[4-[N-fluoranthen-3-yl-4-(2-methylphenyl)anilino]-2-methylphenyl]-3-methylphenyl]-N-[4-(2-methylphenyl)phenyl]fluoranthen-3-amine
CID 159286922
N-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(2,3-diphenylphenyl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-phenylaniline;N-[4-[2-(2-methylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 158908130
3-methyl-N,N-bis[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline;4-methyl-N,N-bis[4-methyl-3-(2-methylphenyl)phenyl]-3-(2-methylphenyl)aniline;3-methyl-N-[4-[4-[3-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)anilino]phenyl]phenyl]-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline
CID 158046153
4-tert-butyl-2-(2-methylphenyl)benzoic acid
CID 20627859
N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline
CID 139326805
1-(2-bromo-4-tert-butylphenyl)-3-(2-bromophenyl)-5-(2-methylphenyl)benzene
CID 139352170
N-tert-butyl-N-(4-tert-butylphenyl)-2,3,4,5,6-pentadeuterioaniline
CID 162698540
N-(4-tert-butylphenyl)-N,2-dimethylaniline
CID 70891346

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).