N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline

C31H33N — CID 162507884

IUPACN-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline
SMILESCC(C)(C)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C31H33N/c1-30(2,3)24-16-19-27(20-17-24)32-29-21-18-26(22-28(29)23-12-8-6-9-13-23)31(4,5)25-14-10-7-11-15-25/h6-22,32H,1-5H3
InChIKeyRVMMYINEGNKCEV-UHFFFAOYSA-N
MW419.61 g/mol
LogP8.72
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline

N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline (PubChem CID 162507884) has the molecular formula C31H33N and a molecular weight of 419.61 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline
PubChem CID162507884
Molecular FormulaC31H33N
Molecular Weight419.61 g/mol
Exact Mass419.26
IUPAC NameN-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline
SMILESCC(C)(C)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C31H33N/c1-30(2,3)24-16-19-27(20-17-24)32-29-21-18-26(22-28(29)23-12-8-6-9-13-23)31(4,5)25-14-10-7-11-15-25/h6-22,32H,1-5H3
InChIKeyRVMMYINEGNKCEV-UHFFFAOYSA-N
XLogP8.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.61
LogP ≤ 58.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-2-naphthalen-2-yl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
CID 155120070
N-(4-tert-butylphenyl)-2-phenylaniline
CID 139372366
N,2-bis(4-tert-butylphenyl)aniline
CID 176593215
N-[4-(1-benzofuran-2-yl)phenyl]-4-tert-butyl-2-phenylaniline
CID 171429896
1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine
CID 164550748
N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 164550755
N-(4-phenylphenyl)-3-(2-phenylpropan-2-yl)aniline
CID 166562766
N-(4-tert-butyl-2-phenylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 167250996
N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-9,9,10,10-tetramethylanthracen-2-amine
CID 166497801
1-N,3-N-bis(4-tert-butylphenyl)-2-chloro-5-phenylbenzene-1,3-diamine
CID 155425008
N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
CID 121262444
1-methyl-4-[2-(4-methyl-3-phenylphenyl)propan-2-yl]-2-phenylbenzene
CID 59814152

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline?
The IUPAC name of N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline (CID 162507884) is N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline?
The canonical SMILES for N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline is CC(C)(C)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline?
The InChIKey is RVMMYINEGNKCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N/c1-30(2,3)24-16-19-27(20-17-24)32-29-21-18-26(22-28(29)23-12-8-6-9-13-23)31(4,5)25-14-10-7-11-15-25/h6-22,32H,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline?
N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline has a molecular weight of 419.61 g/mol, XLogP of 8.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline is sourced from PubChem (CID 162507884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).