trans-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride

C9H11BrClN — CID 56683886

IUPACtrans-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C9H10BrN.ClH/c10-7-3-1-6(2-4-7)8-5-9(8)11;/h1-4,8-9H,5,11H2;1H/t8-,9+;/m0./s1
InChIKeyXQXNVLZRIWWINX-OULXEKPRSA-N
MW248.55 g/mol
LogP2.69
Rot. Bonds1

About trans-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride

trans-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 56683886) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is trans-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride
PubChem CID56683886
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Nametrans-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C9H10BrN.ClH/c10-7-3-1-6(2-4-7)8-5-9(8)11;/h1-4,8-9H,5,11H2;1H/t8-,9+;/m0./s1
InChIKeyXQXNVLZRIWWINX-OULXEKPRSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 52.69
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-(4-bromophenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride (CID 56683886) is trans-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride is Cl.N[C@@H]1C[C@H]1c1ccc(Br)cc1.
What is the InChIKey of trans-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is XQXNVLZRIWWINX-OULXEKPRSA-N. The full InChI is InChI=1S/C9H10BrN.ClH/c10-7-3-1-6(2-4-7)8-5-9(8)11;/h1-4,8-9H,5,11H2;1H/t8-,9+;/m0./s1.
What are the key properties of trans-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride?
trans-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 248.55 g/mol, XLogP of 2.69, 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-(4-bromophenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 56683886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).