[(1S,2S)-2-(2-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride

C11H15BrClN — CID 44572175

IUPAC[(1S,2S)-2-(2-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCc1ccc([C@H]2C[C@@H]2CN)c(Br)c1.Cl
InChIInChI=1S/C11H14BrN.ClH/c1-7-2-3-9(11(12)4-7)10-5-8(10)6-13;/h2-4,8,10H,5-6,13H2,1H3;1H/t8-,10+;/m1./s1
InChIKeyMZHBKCSRGMUWGL-SCYNACPDSA-N
MW276.61 g/mol
LogP3.24
Rot. Bonds2

About [(1S,2S)-2-(2-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride

[(1S,2S)-2-(2-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 44572175) has the molecular formula C11H15BrClN and a molecular weight of 276.61 g/mol. Its IUPAC name is [(1S,2S)-2-(2-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-(2-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID44572175
Molecular FormulaC11H15BrClN
Molecular Weight276.61 g/mol
Exact Mass275.01
IUPAC Name[(1S,2S)-2-(2-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCc1ccc([C@H]2C[C@@H]2CN)c(Br)c1.Cl
InChIInChI=1S/C11H14BrN.ClH/c1-7-2-3-9(11(12)4-7)10-5-8(10)6-13;/h2-4,8,10H,5-6,13H2,1H3;1H/t8-,10+;/m1./s1
InChIKeyMZHBKCSRGMUWGL-SCYNACPDSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.61
LogP ≤ 53.24
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-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-(2-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride (CID 44572175) is [(1S,2S)-2-(2-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-(2-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-(2-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride is Cc1ccc([C@H]2C[C@@H]2CN)c(Br)c1.Cl.
What is the InChIKey of [(1S,2S)-2-(2-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is MZHBKCSRGMUWGL-SCYNACPDSA-N. The full InChI is InChI=1S/C11H14BrN.ClH/c1-7-2-3-9(11(12)4-7)10-5-8(10)6-13;/h2-4,8,10H,5-6,13H2,1H3;1H/t8-,10+;/m1./s1.
What are the key properties of [(1S,2S)-2-(2-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-(2-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 276.61 g/mol, XLogP of 3.24, 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-bromo-4-methylphenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 44572175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).