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

C10H13Cl2N — CID 44572748

IUPAC[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1ccccc1Cl
InChIInChI=1S/C10H12ClN.ClH/c11-10-4-2-1-3-8(10)9-5-7(9)6-12;/h1-4,7,9H,5-6,12H2;1H/t7-,9+;/m1./s1
InChIKeyOAHBKIWUFOWQEL-JXLXBRSFSA-N
MW218.13 g/mol
LogP2.82
Rot. Bonds2

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

[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 44572748) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is [(1S,2S)-2-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID44572748
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1ccccc1Cl
InChIInChI=1S/C10H12ClN.ClH/c11-10-4-2-1-3-8(10)9-5-7(9)6-12;/h1-4,7,9H,5-6,12H2;1H/t7-,9+;/m1./s1
InChIKeyOAHBKIWUFOWQEL-JXLXBRSFSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 52.82
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-chlorophenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride (CID 44572748) is [(1S,2S)-2-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride is Cl.NC[C@H]1C[C@@H]1c1ccccc1Cl.
What is the InChIKey of [(1S,2S)-2-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is OAHBKIWUFOWQEL-JXLXBRSFSA-N. The full InChI is InChI=1S/C10H12ClN.ClH/c11-10-4-2-1-3-8(10)9-5-7(9)6-12;/h1-4,7,9H,5-6,12H2;1H/t7-,9+;/m1./s1.
What are the key properties of [(1S,2S)-2-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 218.13 g/mol, XLogP of 2.82, 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-chlorophenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 44572748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).