1-chloro-N-methylethanamine

C3H8ClN — CID 21445416

IUPAC1-chloro-N-methylethanamine
SMILESCNC(C)Cl
InChIInChI=1S/C3H8ClN/c1-3(4)5-2/h3,5H,1-2H3
InChIKeyPVLXUZQSHCTHBL-UHFFFAOYSA-N
MW93.56 g/mol
LogP0.79
Rot. Bonds1

About 1-chloro-N-methylethanamine

1-chloro-N-methylethanamine (PubChem CID 21445416) has the molecular formula C3H8ClN and a molecular weight of 93.56 g/mol. Its IUPAC name is 1-chloro-N-methylethanamine.

Molecular Properties

Compound Name1-chloro-N-methylethanamine
PubChem CID21445416
Molecular FormulaC3H8ClN
Molecular Weight93.56 g/mol
Exact Mass93.03
IUPAC Name1-chloro-N-methylethanamine
SMILESCNC(C)Cl
InChIInChI=1S/C3H8ClN/c1-3(4)5-2/h3,5H,1-2H3
InChIKeyPVLXUZQSHCTHBL-UHFFFAOYSA-N
XLogP0.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.56
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-methylethanamine?
The IUPAC name of 1-chloro-N-methylethanamine (CID 21445416) is 1-chloro-N-methylethanamine.
What is the SMILES notation for 1-chloro-N-methylethanamine?
The canonical SMILES for 1-chloro-N-methylethanamine is CNC(C)Cl.
What is the InChIKey of 1-chloro-N-methylethanamine?
The InChIKey is PVLXUZQSHCTHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClN/c1-3(4)5-2/h3,5H,1-2H3.
What are the key properties of 1-chloro-N-methylethanamine?
1-chloro-N-methylethanamine has a molecular weight of 93.56 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methylethanamine is sourced from PubChem (CID 21445416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).