4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine

C23H26N2 — CID 167009511

IUPAC4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
SMILESCc1ccc(Nc2ccc(Nc3ccccc3)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C23H26N2/c1-17-10-15-22(21(16-17)23(2,3)4)25-20-13-11-19(12-14-20)24-18-8-6-5-7-9-18/h5-16,24-25H,1-4H3
InChIKeyKMDDNPOQVGXXCD-UHFFFAOYSA-N
MW330.48 g/mol
LogP6.78
Rot. Bonds4

About 4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine

4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine (PubChem CID 167009511) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
PubChem CID167009511
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
SMILESCc1ccc(Nc2ccc(Nc3ccccc3)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C23H26N2/c1-17-10-15-22(21(16-17)23(2,3)4)25-20-13-11-19(12-14-20)24-18-8-6-5-7-9-18/h5-16,24-25H,1-4H3
InChIKeyKMDDNPOQVGXXCD-UHFFFAOYSA-N
XLogP6.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-anilinoanilino)-2,6-ditert-butylphenol
CID 14649918
N-(2-tert-butyl-4-chlorophenyl)-2-chloro-4-methylaniline
CID 70949628
2-[2-(2-anilino-4-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-5-methyl-N-phenylaniline
CID 87997946
3-tert-butyl-N-(4-methylphenyl)aniline
CID 166638036
4-methyl-2-(2-methylphenyl)-N-phenylaniline
CID 70565029
2-(2-tert-butyl-5-methylanilino)phenol
CID 69284004
4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline
CID 67215708
N-[4-(4-anilinophenyl)phenyl]-3-methylaniline
CID 90221896
1-N,4-N-bis(4-methylphenyl)-2,3-diphenylbenzene-1,4-diamine
CID 146472249
3-tert-butyl-N-phenylaniline
CID 19803090
4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 118675145
1-(benzenesulfonyl)-2-tert-butyl-4-methylbenzene
CID 69140241

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine (CID 167009511) is 4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine is Cc1ccc(Nc2ccc(Nc3ccccc3)cc2)c(C(C)(C)C)c1.
What is the InChIKey of 4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine?
The InChIKey is KMDDNPOQVGXXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-17-10-15-22(21(16-17)23(2,3)4)25-20-13-11-19(12-14-20)24-18-8-6-5-7-9-18/h5-16,24-25H,1-4H3.
What are the key properties of 4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine?
4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine has a molecular weight of 330.48 g/mol, XLogP of 6.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-tert-butyl-4-methylphenyl)-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 167009511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).