trans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride

C9H12ClN — CID 2723716

IUPACtrans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C9H11N.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;/h1-5,8-9H,6,10H2;1H/t8-,9+;/m0./s1
InChIKeyZPEFMSTTZXJOTM-OULXEKPRSA-N
MW169.66 g/mol
LogP1.92
Rot. Bonds1

About trans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride

trans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride (PubChem CID 2723716) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is trans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride
PubChem CID2723716
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Nametrans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C9H11N.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;/h1-5,8-9H,6,10H2;1H/t8-,9+;/m0./s1
InChIKeyZPEFMSTTZXJOTM-OULXEKPRSA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride (CID 2723716) is trans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride is Cl.N[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride?
The InChIKey is ZPEFMSTTZXJOTM-OULXEKPRSA-N. The full InChI is InChI=1S/C9H11N.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;/h1-5,8-9H,6,10H2;1H/t8-,9+;/m0./s1.
What are the key properties of trans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride?
trans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride has a molecular weight of 169.66 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-phenylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 2723716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).