N-(4-tert-butylphenyl)-2-phenylaniline

C22H23N — CID 139372366

IUPACN-(4-tert-butylphenyl)-2-phenylaniline
SMILESCC(C)(C)c1ccc(Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H23N/c1-22(2,3)18-13-15-19(16-14-18)23-21-12-8-7-11-20(21)17-9-5-4-6-10-17/h4-16,23H,1-3H3
InChIKeyKSTKGHKBTHVYPN-UHFFFAOYSA-N
MW301.43 g/mol
LogP6.39
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-phenylaniline

N-(4-tert-butylphenyl)-2-phenylaniline (PubChem CID 139372366) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-phenylaniline
PubChem CID139372366
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC NameN-(4-tert-butylphenyl)-2-phenylaniline
SMILESCC(C)(C)c1ccc(Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H23N/c1-22(2,3)18-13-15-19(16-14-18)23-21-12-8-7-11-20(21)17-9-5-4-6-10-17/h4-16,23H,1-3H3
InChIKeyKSTKGHKBTHVYPN-UHFFFAOYSA-N
XLogP6.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-bis(4-tert-butylphenyl)aniline
CID 176593215
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
benzene;N,2-diphenylaniline
CID 175029921
N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline
CID 162507884
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255
1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine
CID 22968504
5-N-[2-(4-tert-butylphenyl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3,5-triamine
CID 164833179
1-N,3-N-bis(4-tert-butylphenyl)-2-chloro-5-phenylbenzene-1,3-diamine
CID 155425008
N-(4-ethenylphenyl)-2-phenylaniline
CID 142706945
1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 169027344
2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 129300972

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-phenylaniline?
The IUPAC name of N-(4-tert-butylphenyl)-2-phenylaniline (CID 139372366) is N-(4-tert-butylphenyl)-2-phenylaniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-phenylaniline?
The canonical SMILES for N-(4-tert-butylphenyl)-2-phenylaniline is CC(C)(C)c1ccc(Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-phenylaniline?
The InChIKey is KSTKGHKBTHVYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-22(2,3)18-13-15-19(16-14-18)23-21-12-8-7-11-20(21)17-9-5-4-6-10-17/h4-16,23H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-2-phenylaniline?
N-(4-tert-butylphenyl)-2-phenylaniline has a molecular weight of 301.43 g/mol, XLogP of 6.39, 3 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-phenylaniline is sourced from PubChem (CID 139372366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).