[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride

C12H18ClN — CID 44572179

IUPAC[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCc1ccc([C@H]2C[C@@H]2CN)cc1C.Cl
InChIInChI=1S/C12H17N.ClH/c1-8-3-4-10(5-9(8)2)12-6-11(12)7-13;/h3-5,11-12H,6-7,13H2,1-2H3;1H/t11-,12-;/m1./s1
InChIKeyGOMXRULDHAGFRS-MNMPKAIFSA-N
MW211.74 g/mol
LogP2.79
Rot. Bonds2

About [(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride

[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 44572179) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is [(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID44572179
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCc1ccc([C@H]2C[C@@H]2CN)cc1C.Cl
InChIInChI=1S/C12H17N.ClH/c1-8-3-4-10(5-9(8)2)12-6-11(12)7-13;/h3-5,11-12H,6-7,13H2,1-2H3;1H/t11-,12-;/m1./s1
InChIKeyGOMXRULDHAGFRS-MNMPKAIFSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride (CID 44572179) is [(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride is Cc1ccc([C@H]2C[C@@H]2CN)cc1C.Cl.
What is the InChIKey of [(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is GOMXRULDHAGFRS-MNMPKAIFSA-N. The full InChI is InChI=1S/C12H17N.ClH/c1-8-3-4-10(5-9(8)2)12-6-11(12)7-13;/h3-5,11-12H,6-7,13H2,1-2H3;1H/t11-,12-;/m1./s1.
What are the key properties of [(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(3,4-dimethylphenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 44572179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).