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

C11H16ClN — CID 44572754

IUPAC[(1S,2S)-2-(2-methylphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCc1ccccc1[C@H]1C[C@@H]1CN.Cl
InChIInChI=1S/C11H15N.ClH/c1-8-4-2-3-5-10(8)11-6-9(11)7-12;/h2-5,9,11H,6-7,12H2,1H3;1H/t9-,11+;/m1./s1
InChIKeyUHSZVUMRRQOIGH-XQKZEKTMSA-N
MW197.71 g/mol
LogP2.48
Rot. Bonds2

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

[(1S,2S)-2-(2-methylphenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 44572754) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is [(1S,2S)-2-(2-methylphenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-(2-methylphenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID44572754
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name[(1S,2S)-2-(2-methylphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCc1ccccc1[C@H]1C[C@@H]1CN.Cl
InChIInChI=1S/C11H15N.ClH/c1-8-4-2-3-5-10(8)11-6-9(11)7-12;/h2-5,9,11H,6-7,12H2,1H3;1H/t9-,11+;/m1./s1
InChIKeyUHSZVUMRRQOIGH-XQKZEKTMSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.48
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-methylphenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-(2-methylphenyl)cyclopropyl]methanamine;hydrochloride (CID 44572754) is [(1S,2S)-2-(2-methylphenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-(2-methylphenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-(2-methylphenyl)cyclopropyl]methanamine;hydrochloride is Cc1ccccc1[C@H]1C[C@@H]1CN.Cl.
What is the InChIKey of [(1S,2S)-2-(2-methylphenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is UHSZVUMRRQOIGH-XQKZEKTMSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-8-4-2-3-5-10(8)11-6-9(11)7-12;/h2-5,9,11H,6-7,12H2,1H3;1H/t9-,11+;/m1./s1.
What are the key properties of [(1S,2S)-2-(2-methylphenyl)cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-(2-methylphenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 2.48, 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-methylphenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 44572754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).