N-chloro-1-methoxyethanamine

C3H8ClNO — CID 129238948

IUPACN-chloro-1-methoxyethanamine
SMILESCOC(C)NCl
InChIInChI=1S/C3H8ClNO/c1-3(5-4)6-2/h3,5H,1-2H3
InChIKeyAMXWUVFPINWOLV-UHFFFAOYSA-N
MW109.56 g/mol
LogP0.72
Rot. Bonds2

About N-chloro-1-methoxyethanamine

N-chloro-1-methoxyethanamine (PubChem CID 129238948) has the molecular formula C3H8ClNO and a molecular weight of 109.56 g/mol. Its IUPAC name is N-chloro-1-methoxyethanamine.

Molecular Properties

Compound NameN-chloro-1-methoxyethanamine
PubChem CID129238948
Molecular FormulaC3H8ClNO
Molecular Weight109.56 g/mol
Exact Mass109.03
IUPAC NameN-chloro-1-methoxyethanamine
SMILESCOC(C)NCl
InChIInChI=1S/C3H8ClNO/c1-3(5-4)6-2/h3,5H,1-2H3
InChIKeyAMXWUVFPINWOLV-UHFFFAOYSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.56
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-chloro-1-methoxyethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-chloro-1-methoxyethanamine?
The IUPAC name of N-chloro-1-methoxyethanamine (CID 129238948) is N-chloro-1-methoxyethanamine.
What is the SMILES notation for N-chloro-1-methoxyethanamine?
The canonical SMILES for N-chloro-1-methoxyethanamine is COC(C)NCl.
What is the InChIKey of N-chloro-1-methoxyethanamine?
The InChIKey is AMXWUVFPINWOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClNO/c1-3(5-4)6-2/h3,5H,1-2H3.
What are the key properties of N-chloro-1-methoxyethanamine?
N-chloro-1-methoxyethanamine has a molecular weight of 109.56 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-methoxyethanamine is sourced from PubChem (CID 129238948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).