2-chloroethanamine;methane

C3H10ClN — CID 174938218

IUPAC2-chloroethanamine;methane
SMILESC.NCCCl
InChIInChI=1S/C2H6ClN.CH4/c3-1-2-4;/h1-2,4H2;1H4
InChIKeyMVBUUMKUGBUJNQ-UHFFFAOYSA-N
MW95.57 g/mol
LogP0.82
Rot. Bonds1

About 2-chloroethanamine;methane

2-chloroethanamine;methane (PubChem CID 174938218) has the molecular formula C3H10ClN and a molecular weight of 95.57 g/mol. Its IUPAC name is 2-chloroethanamine;methane.

Molecular Properties

Compound Name2-chloroethanamine;methane
PubChem CID174938218
Molecular FormulaC3H10ClN
Molecular Weight95.57 g/mol
Exact Mass95.05
IUPAC Name2-chloroethanamine;methane
SMILESC.NCCCl
InChIInChI=1S/C2H6ClN.CH4/c3-1-2-4;/h1-2,4H2;1H4
InChIKeyMVBUUMKUGBUJNQ-UHFFFAOYSA-N
XLogP0.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.57
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-chloroethanamine;methane?
The IUPAC name of 2-chloroethanamine;methane (CID 174938218) is 2-chloroethanamine;methane.
What is the SMILES notation for 2-chloroethanamine;methane?
The canonical SMILES for 2-chloroethanamine;methane is C.NCCCl.
What is the InChIKey of 2-chloroethanamine;methane?
The InChIKey is MVBUUMKUGBUJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClN.CH4/c3-1-2-4;/h1-2,4H2;1H4.
What are the key properties of 2-chloroethanamine;methane?
2-chloroethanamine;methane has a molecular weight of 95.57 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethanamine;methane is sourced from PubChem (CID 174938218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).