1-chloro-N,N-dimethoxymethanamine

C3H8ClNO2 — CID 174552952

IUPAC1-chloro-N,N-dimethoxymethanamine
SMILESCON(CCl)OC
InChIInChI=1S/C3H8ClNO2/c1-6-5(3-4)7-2/h3H2,1-2H3
InChIKeyPKMBRKLYLSMEEF-UHFFFAOYSA-N
MW125.56 g/mol
LogP0.61
Rot. Bonds3

About 1-chloro-N,N-dimethoxymethanamine

1-chloro-N,N-dimethoxymethanamine (PubChem CID 174552952) has the molecular formula C3H8ClNO2 and a molecular weight of 125.56 g/mol. Its IUPAC name is 1-chloro-N,N-dimethoxymethanamine.

Molecular Properties

Compound Name1-chloro-N,N-dimethoxymethanamine
PubChem CID174552952
Molecular FormulaC3H8ClNO2
Molecular Weight125.56 g/mol
Exact Mass125.02
IUPAC Name1-chloro-N,N-dimethoxymethanamine
SMILESCON(CCl)OC
InChIInChI=1S/C3H8ClNO2/c1-6-5(3-4)7-2/h3H2,1-2H3
InChIKeyPKMBRKLYLSMEEF-UHFFFAOYSA-N
XLogP0.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.56
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethoxymethanamine;hydrochloride
CID 86234956
Chloromethoxy-dimethoxy-methylazanium chloride
CID 160955630
Chloromethyl(trimethoxy)azanium chloride
CID 174710095
Chloromethoxy-dimethoxy-methylazanium
CID 160955631
Chloromethyl(trimethoxy)azanium
CID 174710096

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N,N-dimethoxymethanamine?
The IUPAC name of 1-chloro-N,N-dimethoxymethanamine (CID 174552952) is 1-chloro-N,N-dimethoxymethanamine.
What is the SMILES notation for 1-chloro-N,N-dimethoxymethanamine?
The canonical SMILES for 1-chloro-N,N-dimethoxymethanamine is CON(CCl)OC.
What is the InChIKey of 1-chloro-N,N-dimethoxymethanamine?
The InChIKey is PKMBRKLYLSMEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClNO2/c1-6-5(3-4)7-2/h3H2,1-2H3.
What are the key properties of 1-chloro-N,N-dimethoxymethanamine?
1-chloro-N,N-dimethoxymethanamine has a molecular weight of 125.56 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N,N-dimethoxymethanamine is sourced from PubChem (CID 174552952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).