1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine

C24H28N2 — CID 71359938

IUPAC1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
SMILESCC(C)c1ccc(Nc2ccc(Nc3ccc(C(C)C)cc3)cc2)cc1
InChIInChI=1S/C24H28N2/c1-17(2)19-5-9-21(10-6-19)25-23-13-15-24(16-14-23)26-22-11-7-20(8-12-22)18(3)4/h5-18,25-26H,1-4H3
InChIKeyNAKOADASVKRCOD-UHFFFAOYSA-N
MW344.50 g/mol
LogP7.42
Rot. Bonds6

About 1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine

1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine (PubChem CID 71359938) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
PubChem CID71359938
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
SMILESCC(C)c1ccc(Nc2ccc(Nc3ccc(C(C)C)cc3)cc2)cc1
InChIInChI=1S/C24H28N2/c1-17(2)19-5-9-21(10-6-19)25-23-13-15-24(16-14-23)26-22-11-7-20(8-12-22)18(3)4/h5-18,25-26H,1-4H3
InChIKeyNAKOADASVKRCOD-UHFFFAOYSA-N
XLogP7.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline
CID 177290097
4-(4-propan-2-ylanilino)phenol
CID 21326552
2,6-dibromo-N-(4-propan-2-ylphenyl)aniline
CID 121004901
cumene;N-phenylaniline
CID 22645781
N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide
CID 112986651
1-[4-[4-(1-hydroxyethyl)anilino]phenyl]ethanol
CID 18521146
(4-propan-2-ylphenyl)hydrazine
CID 2733249
2-methylsulfanyl-N-(4-propan-2-ylphenyl)pyrimidin-5-amine
CID 151172135
2-fluoro-N-(4-propan-2-ylphenyl)aniline
CID 155290026
(4-propan-2-ylphenyl)hydrazine;hydrate;hydrochloride
CID 18702305
3-ethynyl-N-(4-propan-2-ylphenyl)aniline
CID 155290560
3-(4-propan-2-ylanilino)benzene-1,2-diol
CID 171920166

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine (CID 71359938) is 1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine is CC(C)c1ccc(Nc2ccc(Nc3ccc(C(C)C)cc3)cc2)cc1.
What is the InChIKey of 1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine?
The InChIKey is NAKOADASVKRCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-17(2)19-5-9-21(10-6-19)25-23-13-15-24(16-14-23)26-22-11-7-20(8-12-22)18(3)4/h5-18,25-26H,1-4H3.
What are the key properties of 1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine?
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine has a molecular weight of 344.50 g/mol, XLogP of 7.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 71359938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).