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

C21H22N2 — CID 141333643

IUPAC1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
SMILESCC(C)c1ccccc1Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H22N2/c1-16(2)20-10-6-7-11-21(20)23-19-14-12-18(13-15-19)22-17-8-4-3-5-9-17/h3-16,22-23H,1-2H3
InChIKeyALZPMAIDMDUOJI-UHFFFAOYSA-N
MW302.42 g/mol
LogP6.30
Rot. Bonds5

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

1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine (PubChem CID 141333643) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
PubChem CID141333643
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
SMILESCC(C)c1ccccc1Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H22N2/c1-16(2)20-10-6-7-11-21(20)23-19-14-12-18(13-15-19)22-17-8-4-3-5-9-17/h3-16,22-23H,1-2H3
InChIKeyALZPMAIDMDUOJI-UHFFFAOYSA-N
XLogP6.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-propan-2-ylaniline
CID 82536589
N-phenyl-2-(1-phenylethyl)aniline
CID 59839557
3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine
CID 43132792
3,4-difluoro-N-(2-propan-2-ylphenyl)aniline
CID 82536586
N-phenyl-3,4-di(propan-2-yl)aniline
CID 139833806
2,4-bis(2-anilinophenyl)pentan-3-one
CID 150203420
2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine
CID 144714083
ethane;2-N-[2-(2-methylpentan-3-yl)phenyl]-1-N-phenylbenzene-1,2-diamine
CID 144714082
cumene;N-phenylaniline
CID 22645781
2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline
CID 82300597
2-methyl-4-(2-propan-2-ylanilino)benzenecarbothioamide
CID 81279604
N-phenyl-4-(1-phenylethyl)aniline
CID 3017553

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine (CID 141333643) is 1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine is CC(C)c1ccccc1Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine?
The InChIKey is ALZPMAIDMDUOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-16(2)20-10-6-7-11-21(20)23-19-14-12-18(13-15-19)22-17-8-4-3-5-9-17/h3-16,22-23H,1-2H3.
What are the key properties of 1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine?
1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine has a molecular weight of 302.42 g/mol, XLogP of 6.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 141333643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).