trans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride

C11H15BrClN — CID 90197933

IUPACtrans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
SMILESCC[C@@]1(N)C[C@@H]1c1ccccc1Br.Cl
InChIInChI=1S/C11H14BrN.ClH/c1-2-11(13)7-9(11)8-5-3-4-6-10(8)12;/h3-6,9H,2,7,13H2,1H3;1H/t9-,11-;/m1./s1
InChIKeyUTPYGQWZHKRDCQ-FOKYBFFNSA-N
MW276.60 g/mol
LogP3.47
Rot. Bonds2

About trans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride

trans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride (PubChem CID 90197933) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
PubChem CID90197933
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Nametrans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
SMILESCC[C@@]1(N)C[C@@H]1c1ccccc1Br.Cl
InChIInChI=1S/C11H14BrN.ClH/c1-2-11(13)7-9(11)8-5-3-4-6-10(8)12;/h3-6,9H,2,7,13H2,1H3;1H/t9-,11-;/m1./s1
InChIKeyUTPYGQWZHKRDCQ-FOKYBFFNSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride (CID 90197933) is trans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride is CC[C@@]1(N)C[C@@H]1c1ccccc1Br.Cl.
What is the InChIKey of trans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride?
The InChIKey is UTPYGQWZHKRDCQ-FOKYBFFNSA-N. The full InChI is InChI=1S/C11H14BrN.ClH/c1-2-11(13)7-9(11)8-5-3-4-6-10(8)12;/h3-6,9H,2,7,13H2,1H3;1H/t9-,11-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride?
trans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride has a molecular weight of 276.60 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 90197933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).