(4-chlorophenyl)methylazanium

C7H9ClN+ — CID 5247069

IUPAC(4-chlorophenyl)methylazanium
SMILES[NH3+]Cc1ccc(Cl)cc1
InChIInChI=1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/p+1
InChIKeyYMVFJGSXZNNUDW-UHFFFAOYSA-O
MW142.61 g/mol
LogP1.08
Rot. Bonds1

About (4-chlorophenyl)methylazanium

(4-chlorophenyl)methylazanium (PubChem CID 5247069) has the molecular formula C7H9ClN+ and a molecular weight of 142.61 g/mol. Its IUPAC name is (4-chlorophenyl)methylazanium.

Molecular Properties

Compound Name(4-chlorophenyl)methylazanium
PubChem CID5247069
Molecular FormulaC7H9ClN+
Molecular Weight142.61 g/mol
Exact Mass142.04
IUPAC Name(4-chlorophenyl)methylazanium
SMILES[NH3+]Cc1ccc(Cl)cc1
InChIInChI=1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/p+1
InChIKeyYMVFJGSXZNNUDW-UHFFFAOYSA-O
XLogP1.08
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.61
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methylazanium?
The IUPAC name of (4-chlorophenyl)methylazanium (CID 5247069) is (4-chlorophenyl)methylazanium.
What is the SMILES notation for (4-chlorophenyl)methylazanium?
The canonical SMILES for (4-chlorophenyl)methylazanium is [NH3+]Cc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methylazanium?
The InChIKey is YMVFJGSXZNNUDW-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/p+1.
What are the key properties of (4-chlorophenyl)methylazanium?
(4-chlorophenyl)methylazanium has a molecular weight of 142.61 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methylazanium is sourced from PubChem (CID 5247069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).