[(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride

C10H12Cl2FN — CID 44572165

IUPAC[(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFN.ClH/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13;/h1-2,4,6,9H,3,5,13H2;1H/t6-,9+;/m1./s1
InChIKeyMSSKZLHARRXFKT-VNUWRVCDSA-N
MW236.12 g/mol
LogP2.96
Rot. Bonds2

About [(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride

[(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 44572165) has the molecular formula C10H12Cl2FN and a molecular weight of 236.12 g/mol. Its IUPAC name is [(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID44572165
Molecular FormulaC10H12Cl2FN
Molecular Weight236.12 g/mol
Exact Mass235.03
IUPAC Name[(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFN.ClH/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13;/h1-2,4,6,9H,3,5,13H2;1H/t6-,9+;/m1./s1
InChIKeyMSSKZLHARRXFKT-VNUWRVCDSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride (CID 44572165) is [(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride is Cl.NC[C@H]1C[C@@H]1c1ccc(F)cc1Cl.
What is the InChIKey of [(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is MSSKZLHARRXFKT-VNUWRVCDSA-N. The full InChI is InChI=1S/C10H11ClFN.ClH/c11-10-4-7(12)1-2-8(10)9-3-6(9)5-13;/h1-2,4,6,9H,3,5,13H2;1H/t6-,9+;/m1./s1.
What are the key properties of [(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 236.12 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 44572165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).