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

C10H14ClN — CID 44572656

IUPAC[(1S,2S)-2-phenylcyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C10H13N.ClH/c11-7-9-6-10(9)8-4-2-1-3-5-8;/h1-5,9-10H,6-7,11H2;1H/t9-,10-;/m1./s1
InChIKeyIQFBVCYZPKNMIN-DHTOPLTISA-N
MW183.68 g/mol
LogP2.17
Rot. Bonds2

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

[(1S,2S)-2-phenylcyclopropyl]methanamine;hydrochloride (PubChem CID 44572656) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is [(1S,2S)-2-phenylcyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-phenylcyclopropyl]methanamine;hydrochloride
PubChem CID44572656
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name[(1S,2S)-2-phenylcyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C10H13N.ClH/c11-7-9-6-10(9)8-4-2-1-3-5-8;/h1-5,9-10H,6-7,11H2;1H/t9-,10-;/m1./s1
InChIKeyIQFBVCYZPKNMIN-DHTOPLTISA-N
XLogP2.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-phenylcyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-phenylcyclopropyl]methanamine;hydrochloride (CID 44572656) is [(1S,2S)-2-phenylcyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-phenylcyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-phenylcyclopropyl]methanamine;hydrochloride is Cl.NC[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of [(1S,2S)-2-phenylcyclopropyl]methanamine;hydrochloride?
The InChIKey is IQFBVCYZPKNMIN-DHTOPLTISA-N. The full InChI is InChI=1S/C10H13N.ClH/c11-7-9-6-10(9)8-4-2-1-3-5-8;/h1-5,9-10H,6-7,11H2;1H/t9-,10-;/m1./s1.
What are the key properties of [(1S,2S)-2-phenylcyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-phenylcyclopropyl]methanamine;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-phenylcyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 44572656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).