(2S)-1-chloro-N-methylpropan-2-amine;hydrochloride

C4H11Cl2N — CID 13134796

IUPAC(2S)-1-chloro-N-methylpropan-2-amine;hydrochloride
SMILESCN[C@@H](C)CCl.Cl
InChIInChI=1S/C4H10ClN.ClH/c1-4(3-5)6-2;/h4,6H,3H2,1-2H3;1H/t4-;/m0./s1
InChIKeyKYSKJFQUKOYASQ-WCCKRBBISA-N
MW144.04 g/mol
LogP1.25
Rot. Bonds2

About (2S)-1-chloro-N-methylpropan-2-amine;hydrochloride

(2S)-1-chloro-N-methylpropan-2-amine;hydrochloride (PubChem CID 13134796) has the molecular formula C4H11Cl2N and a molecular weight of 144.04 g/mol. Its IUPAC name is (2S)-1-chloro-N-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-1-chloro-N-methylpropan-2-amine;hydrochloride
PubChem CID13134796
Molecular FormulaC4H11Cl2N
Molecular Weight144.04 g/mol
Exact Mass143.03
IUPAC Name(2S)-1-chloro-N-methylpropan-2-amine;hydrochloride
SMILESCN[C@@H](C)CCl.Cl
InChIInChI=1S/C4H10ClN.ClH/c1-4(3-5)6-2;/h4,6H,3H2,1-2H3;1H/t4-;/m0./s1
InChIKeyKYSKJFQUKOYASQ-WCCKRBBISA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.04
LogP ≤ 51.25
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 (2S)-1-chloro-N-methylpropan-2-amine;hydrochloride?
The IUPAC name of (2S)-1-chloro-N-methylpropan-2-amine;hydrochloride (CID 13134796) is (2S)-1-chloro-N-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for (2S)-1-chloro-N-methylpropan-2-amine;hydrochloride?
The canonical SMILES for (2S)-1-chloro-N-methylpropan-2-amine;hydrochloride is CN[C@@H](C)CCl.Cl.
What is the InChIKey of (2S)-1-chloro-N-methylpropan-2-amine;hydrochloride?
The InChIKey is KYSKJFQUKOYASQ-WCCKRBBISA-N. The full InChI is InChI=1S/C4H10ClN.ClH/c1-4(3-5)6-2;/h4,6H,3H2,1-2H3;1H/t4-;/m0./s1.
What are the key properties of (2S)-1-chloro-N-methylpropan-2-amine;hydrochloride?
(2S)-1-chloro-N-methylpropan-2-amine;hydrochloride has a molecular weight of 144.04 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-chloro-N-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 13134796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).