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

C9H10BrN — CID 39243042

IUPACtrans-(1S,2R)-2-(4-bromophenyl)cyclopropan-1-amine
SMILESN[C@H]1C[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C9H10BrN/c10-7-3-1-6(2-4-7)8-5-9(8)11/h1-4,8-9H,5,11H2/t8-,9+/m1/s1
InChIKeyXRLLHILOPOQXRW-BDAKNGLRSA-N
MW212.09 g/mol
LogP2.26
Rot. Bonds1

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

trans-(1S,2R)-2-(4-bromophenyl)cyclopropan-1-amine (PubChem CID 39243042) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is trans-(1S,2R)-2-(4-bromophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(4-bromophenyl)cyclopropan-1-amine
PubChem CID39243042
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Nametrans-(1S,2R)-2-(4-bromophenyl)cyclopropan-1-amine
SMILESN[C@H]1C[C@@H]1c1ccc(Br)cc1
InChIInChI=1S/C9H10BrN/c10-7-3-1-6(2-4-7)8-5-9(8)11/h1-4,8-9H,5,11H2/t8-,9+/m1/s1
InChIKeyXRLLHILOPOQXRW-BDAKNGLRSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(4-bromophenyl)cyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-2-(4-bromophenyl)cyclopropan-1-amine (CID 39243042) is trans-(1S,2R)-2-(4-bromophenyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-2-(4-bromophenyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-2-(4-bromophenyl)cyclopropan-1-amine is N[C@H]1C[C@@H]1c1ccc(Br)cc1.
What is the InChIKey of trans-(1S,2R)-2-(4-bromophenyl)cyclopropan-1-amine?
The InChIKey is XRLLHILOPOQXRW-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H10BrN/c10-7-3-1-6(2-4-7)8-5-9(8)11/h1-4,8-9H,5,11H2/t8-,9+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(4-bromophenyl)cyclopropan-1-amine?
trans-(1S,2R)-2-(4-bromophenyl)cyclopropan-1-amine has a molecular weight of 212.09 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(4-bromophenyl)cyclopropan-1-amine is sourced from PubChem (CID 39243042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).