[(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride

C11H14Cl2FN — CID 44572206

IUPAC[(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCc1ccc(Cl)c([C@H]2C[C@@H]2CN)c1F.Cl
InChIInChI=1S/C11H13ClFN.ClH/c1-6-2-3-9(12)10(11(6)13)8-4-7(8)5-14;/h2-3,7-8H,4-5,14H2,1H3;1H/t7-,8+;/m1./s1
InChIKeyQVXXZFJRKGZBMX-WLYNEOFISA-N
MW250.14 g/mol
LogP3.27
Rot. Bonds2

About [(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride

[(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 44572206) has the molecular formula C11H14Cl2FN and a molecular weight of 250.14 g/mol. Its IUPAC name is [(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID44572206
Molecular FormulaC11H14Cl2FN
Molecular Weight250.14 g/mol
Exact Mass249.05
IUPAC Name[(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCc1ccc(Cl)c([C@H]2C[C@@H]2CN)c1F.Cl
InChIInChI=1S/C11H13ClFN.ClH/c1-6-2-3-9(12)10(11(6)13)8-4-7(8)5-14;/h2-3,7-8H,4-5,14H2,1H3;1H/t7-,8+;/m1./s1
InChIKeyQVXXZFJRKGZBMX-WLYNEOFISA-N
XLogP3.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride (CID 44572206) is [(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride is Cc1ccc(Cl)c([C@H]2C[C@@H]2CN)c1F.Cl.
What is the InChIKey of [(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is QVXXZFJRKGZBMX-WLYNEOFISA-N. The full InChI is InChI=1S/C11H13ClFN.ClH/c1-6-2-3-9(12)10(11(6)13)8-4-7(8)5-14;/h2-3,7-8H,4-5,14H2,1H3;1H/t7-,8+;/m1./s1.
What are the key properties of [(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 250.14 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 44572206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).