N'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine

C22H24N2 — CID 91121250

IUPACN'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine
SMILESCc1ccc(-c2ccc(NCCNc3ccccc3)cc2)c(C)c1
InChIInChI=1S/C22H24N2/c1-17-8-13-22(18(2)16-17)19-9-11-21(12-10-19)24-15-14-23-20-6-4-3-5-7-20/h3-13,16,23-24H,14-15H2,1-2H3
InChIKeyUIAKFXWOQYKCOC-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.49
Rot. Bonds6

About N'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine

N'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine (PubChem CID 91121250) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine
PubChem CID91121250
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC NameN'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine
SMILESCc1ccc(-c2ccc(NCCNc3ccccc3)cc2)c(C)c1
InChIInChI=1S/C22H24N2/c1-17-8-13-22(18(2)16-17)19-9-11-21(12-10-19)24-15-14-23-20-6-4-3-5-7-20/h3-13,16,23-24H,14-15H2,1-2H3
InChIKeyUIAKFXWOQYKCOC-UHFFFAOYSA-N
XLogP5.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine?
The IUPAC name of N'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine (CID 91121250) is N'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine.
What is the SMILES notation for N'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine?
The canonical SMILES for N'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine is Cc1ccc(-c2ccc(NCCNc3ccccc3)cc2)c(C)c1.
What is the InChIKey of N'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine?
The InChIKey is UIAKFXWOQYKCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-17-8-13-22(18(2)16-17)19-9-11-21(12-10-19)24-15-14-23-20-6-4-3-5-7-20/h3-13,16,23-24H,14-15H2,1-2H3.
What are the key properties of N'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine?
N'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine has a molecular weight of 316.45 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,4-dimethylphenyl)phenyl]-N-phenylethane-1,2-diamine is sourced from PubChem (CID 91121250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).