1-chloropropan-2-amine

C3H8ClN — CID 12931964

IUPAC1-chloropropan-2-amine
SMILESCC(N)CCl
InChIInChI=1S/C3H8ClN/c1-3(5)2-4/h3H,2,5H2,1H3
InChIKeyOYNBQOGMGPCEHG-UHFFFAOYSA-N
MW93.56 g/mol
LogP0.57
Rot. Bonds1

About 1-chloropropan-2-amine

1-chloropropan-2-amine (PubChem CID 12931964) has the molecular formula C3H8ClN and a molecular weight of 93.56 g/mol. Its IUPAC name is 1-chloropropan-2-amine.

Molecular Properties

Compound Name1-chloropropan-2-amine
PubChem CID12931964
Molecular FormulaC3H8ClN
Molecular Weight93.56 g/mol
Exact Mass93.03
IUPAC Name1-chloropropan-2-amine
SMILESCC(N)CCl
InChIInChI=1S/C3H8ClN/c1-3(5)2-4/h3H,2,5H2,1H3
InChIKeyOYNBQOGMGPCEHG-UHFFFAOYSA-N
XLogP0.57
TPSA26.02 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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Chloropropylamine
CID 84629
4-Chlorobutan-2-amine hydrochloride
CID 76223739
(2S)-1-chlorobutan-2-amine hydrochloride
CID 141139288
(2S)-4-chlorobutan-2-amine hydrochloride
CID 155169830
(2R)-1-chlorobutan-2-amine hydrochloride
CID 165757072
2-Chloropropan-1-amine
CID 145856
1-Chloropropyl amine hydrochloride
CID 20205730
1-Chloro-2-aminobutane hydrochloride
CID 21554333
(s)-1-Chloropropylamine hydrochloride
CID 137374710
4-Chlorobutan-2-amine
CID 19773510
1-Chloro-3-fluoropropan-2-amine
CID 54199170
(3S)-4-chloro-3-fluorobutan-2-amine
CID 166828039

Frequently Asked Questions

What is the IUPAC name of 1-chloropropan-2-amine?
The IUPAC name of 1-chloropropan-2-amine (CID 12931964) is 1-chloropropan-2-amine.
What is the SMILES notation for 1-chloropropan-2-amine?
The canonical SMILES for 1-chloropropan-2-amine is CC(N)CCl.
What is the InChIKey of 1-chloropropan-2-amine?
The InChIKey is OYNBQOGMGPCEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClN/c1-3(5)2-4/h3H,2,5H2,1H3.
What are the key properties of 1-chloropropan-2-amine?
1-chloropropan-2-amine has a molecular weight of 93.56 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropan-2-amine is sourced from PubChem (CID 12931964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).