cis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride

C11H15BrClN — CID 118730221

IUPACcis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
SMILESCC[C@]1(N)C[C@@H]1c1cccc(Br)c1.Cl
InChIInChI=1S/C11H14BrN.ClH/c1-2-11(13)7-10(11)8-4-3-5-9(12)6-8;/h3-6,10H,2,7,13H2,1H3;1H/t10-,11+;/m1./s1
InChIKeyCCOXWJYSSWOTLU-DHXVBOOMSA-N
MW276.60 g/mol
LogP3.47
Rot. Bonds2

About cis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride

cis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride (PubChem CID 118730221) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is cis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
PubChem CID118730221
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Namecis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
SMILESCC[C@]1(N)C[C@@H]1c1cccc(Br)c1.Cl
InChIInChI=1S/C11H14BrN.ClH/c1-2-11(13)7-10(11)8-4-3-5-9(12)6-8;/h3-6,10H,2,7,13H2,1H3;1H/t10-,11+;/m1./s1
InChIKeyCCOXWJYSSWOTLU-DHXVBOOMSA-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

Analyze cis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride (CID 118730221) is cis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride is CC[C@]1(N)C[C@@H]1c1cccc(Br)c1.Cl.
What is the InChIKey of cis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride?
The InChIKey is CCOXWJYSSWOTLU-DHXVBOOMSA-N. The full InChI is InChI=1S/C11H14BrN.ClH/c1-2-11(13)7-10(11)8-4-3-5-9(12)6-8;/h3-6,10H,2,7,13H2,1H3;1H/t10-,11+;/m1./s1.
What are the key properties of cis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride?
cis-(1S,2R)-2-(3-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 cis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 118730221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).