cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride

C11H14BrClFN — CID 118732678

IUPACcis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
SMILESCC[C@]1(N)C[C@@H]1c1ccc(Br)c(F)c1.Cl
InChIInChI=1S/C11H13BrFN.ClH/c1-2-11(14)6-8(11)7-3-4-9(12)10(13)5-7;/h3-5,8H,2,6,14H2,1H3;1H/t8-,11+;/m1./s1
InChIKeyNNYOVTXGOXIUCV-NINOIYOQSA-N
MW294.60 g/mol
LogP3.60
Rot. Bonds2

About cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride

cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride (PubChem CID 118732678) has the molecular formula C11H14BrClFN and a molecular weight of 294.60 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
PubChem CID118732678
Molecular FormulaC11H14BrClFN
Molecular Weight294.60 g/mol
Exact Mass293.00
IUPAC Namecis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
SMILESCC[C@]1(N)C[C@@H]1c1ccc(Br)c(F)c1.Cl
InChIInChI=1S/C11H13BrFN.ClH/c1-2-11(14)6-8(11)7-3-4-9(12)10(13)5-7;/h3-5,8H,2,6,14H2,1H3;1H/t8-,11+;/m1./s1
InChIKeyNNYOVTXGOXIUCV-NINOIYOQSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.60
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride (CID 118732678) is cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride is CC[C@]1(N)C[C@@H]1c1ccc(Br)c(F)c1.Cl.
What is the InChIKey of cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride?
The InChIKey is NNYOVTXGOXIUCV-NINOIYOQSA-N. The full InChI is InChI=1S/C11H13BrFN.ClH/c1-2-11(14)6-8(11)7-3-4-9(12)10(13)5-7;/h3-5,8H,2,6,14H2,1H3;1H/t8-,11+;/m1./s1.
What are the key properties of cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride?
cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride has a molecular weight of 294.60 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 118732678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).