chloromethoxy-dimethoxy-methylazanium chloride

C4H11Cl2NO3 — CID 160955630

IUPACchloromethoxy-dimethoxy-methylazanium chloride
SMILESCO[N+](C)(OC)OCCl.[Cl-]
InChIInChI=1S/C4H11ClNO3.ClH/c1-6(7-2,8-3)9-4-5;/h4H2,1-3H3;1H/q+1;/p-1
InChIKeyCDHNKOPGCUKNDJ-UHFFFAOYSA-M
MW192.04 g/mol
LogP-2.31
Rot. Bonds4

About chloromethoxy-dimethoxy-methylazanium chloride

chloromethoxy-dimethoxy-methylazanium chloride (PubChem CID 160955630) has the molecular formula C4H11Cl2NO3 and a molecular weight of 192.04 g/mol. Its IUPAC name is chloromethoxy-dimethoxy-methylazanium chloride.

Molecular Properties

Compound Namechloromethoxy-dimethoxy-methylazanium chloride
PubChem CID160955630
Molecular FormulaC4H11Cl2NO3
Molecular Weight192.04 g/mol
Exact Mass191.01
IUPAC Namechloromethoxy-dimethoxy-methylazanium chloride
SMILESCO[N+](C)(OC)OCCl.[Cl-]
InChIInChI=1S/C4H11ClNO3.ClH/c1-6(7-2,8-3)9-4-5;/h4H2,1-3H3;1H/q+1;/p-1
InChIKeyCDHNKOPGCUKNDJ-UHFFFAOYSA-M
XLogP-2.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 5-2.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze chloromethoxy-dimethoxy-methylazanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Trimethoxy(methyl)azanium chloride
CID 161184595
Trimethoxy(methyl)azanium;dihydrochloride
CID 174450947
Chloromethyl(trimethoxy)azanium chloride
CID 174710095
Chloromethoxy-dimethoxy-methylazanium
CID 160955631
1-chloro-N,N-dimethoxymethanamine
CID 174552952
Chloromethyl(trimethoxy)azanium
CID 174710096

Frequently Asked Questions

What is the IUPAC name of chloromethoxy-dimethoxy-methylazanium chloride?
The IUPAC name of chloromethoxy-dimethoxy-methylazanium chloride (CID 160955630) is chloromethoxy-dimethoxy-methylazanium chloride.
What is the SMILES notation for chloromethoxy-dimethoxy-methylazanium chloride?
The canonical SMILES for chloromethoxy-dimethoxy-methylazanium chloride is CO[N+](C)(OC)OCCl.[Cl-].
What is the InChIKey of chloromethoxy-dimethoxy-methylazanium chloride?
The InChIKey is CDHNKOPGCUKNDJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11ClNO3.ClH/c1-6(7-2,8-3)9-4-5;/h4H2,1-3H3;1H/q+1;/p-1.
What are the key properties of chloromethoxy-dimethoxy-methylazanium chloride?
chloromethoxy-dimethoxy-methylazanium chloride has a molecular weight of 192.04 g/mol, XLogP of -2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethoxy-dimethoxy-methylazanium chloride is sourced from PubChem (CID 160955630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).