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

C11H14BrN — CID 90206358

IUPACcis-(1R,2S)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine
SMILESCC[C@@]1(N)C[C@H]1c1cccc(Br)c1
InChIInChI=1S/C11H14BrN/c1-2-11(13)7-10(11)8-4-3-5-9(12)6-8/h3-6,10H,2,7,13H2,1H3/t10-,11+/m0/s1
InChIKeySRNUZUYKHZOGFL-WDEREUQCSA-N
MW240.14 g/mol
LogP3.04
Rot. Bonds2

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

cis-(1R,2S)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine (PubChem CID 90206358) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine
PubChem CID90206358
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Namecis-(1R,2S)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine
SMILESCC[C@@]1(N)C[C@H]1c1cccc(Br)c1
InChIInChI=1S/C11H14BrN/c1-2-11(13)7-10(11)8-4-3-5-9(12)6-8/h3-6,10H,2,7,13H2,1H3/t10-,11+/m0/s1
InChIKeySRNUZUYKHZOGFL-WDEREUQCSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine?
The IUPAC name of cis-(1R,2S)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine (CID 90206358) is cis-(1R,2S)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine is CC[C@@]1(N)C[C@H]1c1cccc(Br)c1.
What is the InChIKey of cis-(1R,2S)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine?
The InChIKey is SRNUZUYKHZOGFL-WDEREUQCSA-N. The full InChI is InChI=1S/C11H14BrN/c1-2-11(13)7-10(11)8-4-3-5-9(12)6-8/h3-6,10H,2,7,13H2,1H3/t10-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine?
cis-(1R,2S)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine has a molecular weight of 240.14 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine is sourced from PubChem (CID 90206358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).