[4-(chloromethyl)phenyl]methylazanium chloride

C8H11Cl2N — CID 178000325

IUPAC[4-(chloromethyl)phenyl]methylazanium chloride
SMILES[Cl-].[NH3+]Cc1ccc(CCl)cc1
InChIInChI=1S/C8H10ClN.ClH/c9-5-7-1-3-8(6-10)4-2-7;/h1-4H,5-6,10H2;1H
InChIKeyJHQBDWOURBEZFD-UHFFFAOYSA-N
MW192.09 g/mol
LogP-1.83
Rot. Bonds2

About [4-(chloromethyl)phenyl]methylazanium chloride

[4-(chloromethyl)phenyl]methylazanium chloride (PubChem CID 178000325) has the molecular formula C8H11Cl2N and a molecular weight of 192.09 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]methylazanium chloride.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]methylazanium chloride
PubChem CID178000325
Molecular FormulaC8H11Cl2N
Molecular Weight192.09 g/mol
Exact Mass191.03
IUPAC Name[4-(chloromethyl)phenyl]methylazanium chloride
SMILES[Cl-].[NH3+]Cc1ccc(CCl)cc1
InChIInChI=1S/C8H10ClN.ClH/c9-5-7-1-3-8(6-10)4-2-7;/h1-4H,5-6,10H2;1H
InChIKeyJHQBDWOURBEZFD-UHFFFAOYSA-N
XLogP-1.83
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.09
LogP ≤ 5-1.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)phenyl]methylazanium chloride?
The IUPAC name of [4-(chloromethyl)phenyl]methylazanium chloride (CID 178000325) is [4-(chloromethyl)phenyl]methylazanium chloride.
What is the SMILES notation for [4-(chloromethyl)phenyl]methylazanium chloride?
The canonical SMILES for [4-(chloromethyl)phenyl]methylazanium chloride is [Cl-].[NH3+]Cc1ccc(CCl)cc1.
What is the InChIKey of [4-(chloromethyl)phenyl]methylazanium chloride?
The InChIKey is JHQBDWOURBEZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN.ClH/c9-5-7-1-3-8(6-10)4-2-7;/h1-4H,5-6,10H2;1H.
What are the key properties of [4-(chloromethyl)phenyl]methylazanium chloride?
[4-(chloromethyl)phenyl]methylazanium chloride has a molecular weight of 192.09 g/mol, XLogP of -1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]methylazanium chloride is sourced from PubChem (CID 178000325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).