4-chlorobutan-2-amine

C4H10ClN — CID 19773510

IUPAC4-chlorobutan-2-amine
SMILESCC(N)CCCl
InChIInChI=1S/C4H10ClN/c1-4(6)2-3-5/h4H,2-3,6H2,1H3
InChIKeyGCAMQFBODZNEGE-UHFFFAOYSA-N
MW107.58 g/mol
LogP0.96
Rot. Bonds2

About 4-chlorobutan-2-amine

4-chlorobutan-2-amine (PubChem CID 19773510) has the molecular formula C4H10ClN and a molecular weight of 107.58 g/mol. Its IUPAC name is 4-chlorobutan-2-amine.

Molecular Properties

Compound Name4-chlorobutan-2-amine
PubChem CID19773510
Molecular FormulaC4H10ClN
Molecular Weight107.58 g/mol
Exact Mass107.05
IUPAC Name4-chlorobutan-2-amine
SMILESCC(N)CCCl
InChIInChI=1S/C4H10ClN/c1-4(6)2-3-5/h4H,2-3,6H2,1H3
InChIKeyGCAMQFBODZNEGE-UHFFFAOYSA-N
XLogP0.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.58
LogP ≤ 50.96
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 4-chlorobutan-2-amine?
The IUPAC name of 4-chlorobutan-2-amine (CID 19773510) is 4-chlorobutan-2-amine.
What is the SMILES notation for 4-chlorobutan-2-amine?
The canonical SMILES for 4-chlorobutan-2-amine is CC(N)CCCl.
What is the InChIKey of 4-chlorobutan-2-amine?
The InChIKey is GCAMQFBODZNEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClN/c1-4(6)2-3-5/h4H,2-3,6H2,1H3.
What are the key properties of 4-chlorobutan-2-amine?
4-chlorobutan-2-amine has a molecular weight of 107.58 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutan-2-amine is sourced from PubChem (CID 19773510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).