(2R)-1-chloropropan-2-amine;hydrochloride

C3H9Cl2N — CID 55284804

IUPAC(2R)-1-chloropropan-2-amine;hydrochloride
SMILESC[C@@H](N)CCl.Cl
InChIInChI=1S/C3H8ClN.ClH/c1-3(5)2-4;/h3H,2,5H2,1H3;1H/t3-;/m1./s1
InChIKeyJCYHBVQFOAWROY-AENDTGMFSA-N
MW130.02 g/mol
LogP0.99
Rot. Bonds1

About (2R)-1-chloropropan-2-amine;hydrochloride

(2R)-1-chloropropan-2-amine;hydrochloride (PubChem CID 55284804) has the molecular formula C3H9Cl2N and a molecular weight of 130.02 g/mol. Its IUPAC name is (2R)-1-chloropropan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-chloropropan-2-amine;hydrochloride
PubChem CID55284804
Molecular FormulaC3H9Cl2N
Molecular Weight130.02 g/mol
Exact Mass129.01
IUPAC Name(2R)-1-chloropropan-2-amine;hydrochloride
SMILESC[C@@H](N)CCl.Cl
InChIInChI=1S/C3H8ClN.ClH/c1-3(5)2-4;/h3H,2,5H2,1H3;1H/t3-;/m1./s1
InChIKeyJCYHBVQFOAWROY-AENDTGMFSA-N
XLogP0.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.02
LogP ≤ 50.99
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

1-Propanamine, 3-chloro-, hydrochloride
CID 11469095
4-Chlorobutan-2-amine hydrochloride
CID 76223739
(2S)-1-chlorobutan-2-amine hydrochloride
CID 141139288
(2S)-4-chlorobutan-2-amine hydrochloride
CID 155169830
3-Chloropropylazanium chloride
CID 10877148
(2R)-1-chlorobutan-2-amine hydrochloride
CID 165757072
(2S)-1-chloropropan-2-amine;hydrochloride
CID 177797529
(2S)-2-chloropropan-1-amine;hydrochloride
CID 177800852
(2R)-2-chloropropan-1-amine;hydrochloride
CID 177800879
2-Propanamine, 1-chloro-
CID 12931964
1-Chloropropyl amine hydrochloride
CID 20205730
1-Amino-2-chlorobutane hydrochloride
CID 20403571

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloropropan-2-amine;hydrochloride?
The IUPAC name of (2R)-1-chloropropan-2-amine;hydrochloride (CID 55284804) is (2R)-1-chloropropan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1-chloropropan-2-amine;hydrochloride?
The canonical SMILES for (2R)-1-chloropropan-2-amine;hydrochloride is C[C@@H](N)CCl.Cl.
What is the InChIKey of (2R)-1-chloropropan-2-amine;hydrochloride?
The InChIKey is JCYHBVQFOAWROY-AENDTGMFSA-N. The full InChI is InChI=1S/C3H8ClN.ClH/c1-3(5)2-4;/h3H,2,5H2,1H3;1H/t3-;/m1./s1.
What are the key properties of (2R)-1-chloropropan-2-amine;hydrochloride?
(2R)-1-chloropropan-2-amine;hydrochloride has a molecular weight of 130.02 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloropropan-2-amine;hydrochloride is sourced from PubChem (CID 55284804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).