4-(anilinomethyl)aniline;dihydrochloride

C13H16Cl2N2 — CID 517605

IUPAC4-(anilinomethyl)aniline;dihydrochloride
SMILESCl.Cl.Nc1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C13H14N2.2ClH/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13;;/h1-9,15H,10,14H2;2*1H
InChIKeyXZMJMZMJNVEEQY-UHFFFAOYSA-N
MW271.19 g/mol
LogP3.72
Rot. Bonds3

About 4-(anilinomethyl)aniline;dihydrochloride

4-(anilinomethyl)aniline;dihydrochloride (PubChem CID 517605) has the molecular formula C13H16Cl2N2 and a molecular weight of 271.19 g/mol. Its IUPAC name is 4-(anilinomethyl)aniline;dihydrochloride.

Molecular Properties

Compound Name4-(anilinomethyl)aniline;dihydrochloride
PubChem CID517605
Molecular FormulaC13H16Cl2N2
Molecular Weight271.19 g/mol
Exact Mass270.07
IUPAC Name4-(anilinomethyl)aniline;dihydrochloride
SMILESCl.Cl.Nc1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C13H14N2.2ClH/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13;;/h1-9,15H,10,14H2;2*1H
InChIKeyXZMJMZMJNVEEQY-UHFFFAOYSA-N
XLogP3.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(anilinomethyl)aniline;dihydrochloride?
The IUPAC name of 4-(anilinomethyl)aniline;dihydrochloride (CID 517605) is 4-(anilinomethyl)aniline;dihydrochloride.
What is the SMILES notation for 4-(anilinomethyl)aniline;dihydrochloride?
The canonical SMILES for 4-(anilinomethyl)aniline;dihydrochloride is Cl.Cl.Nc1ccc(CNc2ccccc2)cc1.
What is the InChIKey of 4-(anilinomethyl)aniline;dihydrochloride?
The InChIKey is XZMJMZMJNVEEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.2ClH/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13;;/h1-9,15H,10,14H2;2*1H.
What are the key properties of 4-(anilinomethyl)aniline;dihydrochloride?
4-(anilinomethyl)aniline;dihydrochloride has a molecular weight of 271.19 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinomethyl)aniline;dihydrochloride is sourced from PubChem (CID 517605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).