2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine

C19H18N2 — CID 43436248

IUPAC2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine
SMILESCc1cc(Nc2ccccc2-c2ccccc2)ccc1N
InChIInChI=1S/C19H18N2/c1-14-13-16(11-12-18(14)20)21-19-10-6-5-9-17(19)15-7-3-2-4-8-15/h2-13,21H,20H2,1H3
InChIKeyMTSYCWLAJHJKFK-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.99
Rot. Bonds3

About 2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine

2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine (PubChem CID 43436248) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine
PubChem CID43436248
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine
SMILESCc1cc(Nc2ccccc2-c2ccccc2)ccc1N
InChIInChI=1S/C19H18N2/c1-14-13-16(11-12-18(14)20)21-19-10-6-5-9-17(19)15-7-3-2-4-8-15/h2-13,21H,20H2,1H3
InChIKeyMTSYCWLAJHJKFK-UHFFFAOYSA-N
XLogP4.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine (CID 43436248) is 2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine is Cc1cc(Nc2ccccc2-c2ccccc2)ccc1N.
What is the InChIKey of 2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine?
The InChIKey is MTSYCWLAJHJKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-14-13-16(11-12-18(14)20)21-19-10-6-5-9-17(19)15-7-3-2-4-8-15/h2-13,21H,20H2,1H3.
What are the key properties of 2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine?
2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 43436248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).