trans-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine;hydrochloride

C9H11BrClN — CID 56673910

IUPACtrans-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1c1cccc(Br)c1
InChIInChI=1S/C9H10BrN.ClH/c10-7-3-1-2-6(4-7)8-5-9(8)11;/h1-4,8-9H,5,11H2;1H/t8-,9+;/m0./s1
InChIKeyPDPFGIOAIWJVJE-OULXEKPRSA-N
MW248.55 g/mol
LogP2.69
Rot. Bonds1

About trans-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine;hydrochloride

trans-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 56673910) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is trans-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine;hydrochloride
PubChem CID56673910
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Nametrans-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@H]1c1cccc(Br)c1
InChIInChI=1S/C9H10BrN.ClH/c10-7-3-1-2-6(4-7)8-5-9(8)11;/h1-4,8-9H,5,11H2;1H/t8-,9+;/m0./s1
InChIKeyPDPFGIOAIWJVJE-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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Related Compounds

Tranylcypromine
CID 5530
(1R,2S)-Tranylcypromine
CID 19493
(+)-Tranylcypromine
CID 26070
4-Bromo-alpha-methylbenzeneethanamine
CID 205668
Tranylcypromine hydrochloride
CID 2723716
p-Bromophenethylamine
CID 533915
2-Bromophenethylamine
CID 2734091
3-Bromophenethylamine
CID 7021736
(1S,2S)-2-phenylcyclopropan-1-amine
CID 6604304
(1S,2R)-2-phenylcyclopropan-1-amine hydrochloride
CID 6419961
(1R)-2-phenylcyclopropan-1-amine
CID 441233
1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]methanamine hydrochloride, trans
CID 44572750

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine;hydrochloride (CID 56673910) is trans-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine;hydrochloride is Cl.N[C@@H]1C[C@H]1c1cccc(Br)c1.
What is the InChIKey of trans-(1R,2S)-2-(3-bromophenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is PDPFGIOAIWJVJE-OULXEKPRSA-N. The full InChI is InChI=1S/C9H10BrN.ClH/c10-7-3-1-2-6(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-(3-bromophenyl)cyclopropan-1-amine;hydrochloride?
trans-(1R,2S)-2-(3-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-(3-bromophenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 56673910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).