2-benzyl-5-phenylbenzene-1,4-diamine

C19H18N2 — CID 141053780

IUPAC2-benzyl-5-phenylbenzene-1,4-diamine
SMILESNc1cc(-c2ccccc2)c(N)cc1Cc1ccccc1
InChIInChI=1S/C19H18N2/c20-18-13-17(15-9-5-2-6-10-15)19(21)12-16(18)11-14-7-3-1-4-8-14/h1-10,12-13H,11,20-21H2
InChIKeyVMIKSAOUZUGRHQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.11
Rot. Bonds3

About 2-benzyl-5-phenylbenzene-1,4-diamine

2-benzyl-5-phenylbenzene-1,4-diamine (PubChem CID 141053780) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-benzyl-5-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-benzyl-5-phenylbenzene-1,4-diamine
PubChem CID141053780
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name2-benzyl-5-phenylbenzene-1,4-diamine
SMILESNc1cc(-c2ccccc2)c(N)cc1Cc1ccccc1
InChIInChI=1S/C19H18N2/c20-18-13-17(15-9-5-2-6-10-15)19(21)12-16(18)11-14-7-3-1-4-8-14/h1-10,12-13H,11,20-21H2
InChIKeyVMIKSAOUZUGRHQ-UHFFFAOYSA-N
XLogP4.11
TPSA52.04 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 ≤ 54.11
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-benzyl-5-phenylbenzene-1,4-diamine?
The IUPAC name of 2-benzyl-5-phenylbenzene-1,4-diamine (CID 141053780) is 2-benzyl-5-phenylbenzene-1,4-diamine.
What is the SMILES notation for 2-benzyl-5-phenylbenzene-1,4-diamine?
The canonical SMILES for 2-benzyl-5-phenylbenzene-1,4-diamine is Nc1cc(-c2ccccc2)c(N)cc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-phenylbenzene-1,4-diamine?
The InChIKey is VMIKSAOUZUGRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c20-18-13-17(15-9-5-2-6-10-15)19(21)12-16(18)11-14-7-3-1-4-8-14/h1-10,12-13H,11,20-21H2.
What are the key properties of 2-benzyl-5-phenylbenzene-1,4-diamine?
2-benzyl-5-phenylbenzene-1,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-phenylbenzene-1,4-diamine is sourced from PubChem (CID 141053780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).