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

C11H15Cl2N — CID 44572173

IUPAC[(1S,2S)-2-(2-chloro-6-methylphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCc1cccc(Cl)c1[C@H]1C[C@@H]1CN.Cl
InChIInChI=1S/C11H14ClN.ClH/c1-7-3-2-4-10(12)11(7)9-5-8(9)6-13;/h2-4,8-9H,5-6,13H2,1H3;1H/t8-,9+;/m1./s1
InChIKeyOPJBTTOGYLUOHP-RJUBDTSPSA-N
MW232.15 g/mol
LogP3.13
Rot. Bonds2

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

[(1S,2S)-2-(2-chloro-6-methylphenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 44572173) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is [(1S,2S)-2-(2-chloro-6-methylphenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-(2-chloro-6-methylphenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID44572173
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name[(1S,2S)-2-(2-chloro-6-methylphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCc1cccc(Cl)c1[C@H]1C[C@@H]1CN.Cl
InChIInChI=1S/C11H14ClN.ClH/c1-7-3-2-4-10(12)11(7)9-5-8(9)6-13;/h2-4,8-9H,5-6,13H2,1H3;1H/t8-,9+;/m1./s1
InChIKeyOPJBTTOGYLUOHP-RJUBDTSPSA-N
XLogP3.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.13
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-6-methylphenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-(2-chloro-6-methylphenyl)cyclopropyl]methanamine;hydrochloride (CID 44572173) is [(1S,2S)-2-(2-chloro-6-methylphenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-(2-chloro-6-methylphenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-(2-chloro-6-methylphenyl)cyclopropyl]methanamine;hydrochloride is Cc1cccc(Cl)c1[C@H]1C[C@@H]1CN.Cl.
What is the InChIKey of [(1S,2S)-2-(2-chloro-6-methylphenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is OPJBTTOGYLUOHP-RJUBDTSPSA-N. The full InChI is InChI=1S/C11H14ClN.ClH/c1-7-3-2-4-10(12)11(7)9-5-8(9)6-13;/h2-4,8-9H,5-6,13H2,1H3;1H/t8-,9+;/m1./s1.
What are the key properties of [(1S,2S)-2-(2-chloro-6-methylphenyl)cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-(2-chloro-6-methylphenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 232.15 g/mol, XLogP of 3.13, 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-6-methylphenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 44572173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).