N,4-ditert-butyl-N-phenylaniline

C20H27N — CID 91172141

IUPACN,4-ditert-butyl-N-phenylaniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C20H27N/c1-19(2,3)16-12-14-18(15-13-16)21(20(4,5)6)17-10-8-7-9-11-17/h7-15H,1-6H3
InChIKeyUYWAQUUECAMSGE-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.92
Rot. Bonds2

About N,4-ditert-butyl-N-phenylaniline

N,4-ditert-butyl-N-phenylaniline (PubChem CID 91172141) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N,4-ditert-butyl-N-phenylaniline.

Molecular Properties

Compound NameN,4-ditert-butyl-N-phenylaniline
PubChem CID91172141
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN,4-ditert-butyl-N-phenylaniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C20H27N/c1-19(2,3)16-12-14-18(15-13-16)21(20(4,5)6)17-10-8-7-9-11-17/h7-15H,1-6H3
InChIKeyUYWAQUUECAMSGE-UHFFFAOYSA-N
XLogP5.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline
CID 90222675
4-tert-butyl-N,N-diphenylaniline
CID 11312667
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-(4-tert-butylphenyl)-3-methyl-4-(2-methylphenyl)aniline
CID 162698304
N-tert-butyl-N-(4-tert-butylphenyl)-2,3,4,5,6-pentadeuterioaniline
CID 162698540
N-tert-butyl-4-phenanthren-9-yl-N-phenylaniline
CID 177100651
N-tert-butyl-N-(4-tert-butylphenyl)-1-benzothiophen-3-amine
CID 176910613
N-tert-butyl-4-carbazol-9-yl-N-phenylaniline
CID 59518240
N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline
CID 157179618
N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline
CID 70891344
4-N-[3-[4-(3-methylpentan-3-yl)phenyl]pentan-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 130270116
4-N-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59221775

Frequently Asked Questions

What is the IUPAC name of N,4-ditert-butyl-N-phenylaniline?
The IUPAC name of N,4-ditert-butyl-N-phenylaniline (CID 91172141) is N,4-ditert-butyl-N-phenylaniline.
What is the SMILES notation for N,4-ditert-butyl-N-phenylaniline?
The canonical SMILES for N,4-ditert-butyl-N-phenylaniline is CC(C)(C)c1ccc(N(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of N,4-ditert-butyl-N-phenylaniline?
The InChIKey is UYWAQUUECAMSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-19(2,3)16-12-14-18(15-13-16)21(20(4,5)6)17-10-8-7-9-11-17/h7-15H,1-6H3.
What are the key properties of N,4-ditert-butyl-N-phenylaniline?
N,4-ditert-butyl-N-phenylaniline has a molecular weight of 281.44 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-ditert-butyl-N-phenylaniline is sourced from PubChem (CID 91172141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).