(R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine

C13H15BrF3NO — CID 171208037

IUPAC(R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine
SMILESN[C@@H](c1cc(Br)ccc1OC(F)(F)F)C1CCCC1
InChIInChI=1S/C13H15BrF3NO/c14-9-5-6-11(19-13(15,16)17)10(7-9)12(18)8-3-1-2-4-8/h5-8,12H,1-4,18H2/t12-/m1/s1
InChIKeyIXLFQAODBMWEHW-GFCCVEGCSA-N
MW338.17 g/mol
LogP4.54
Rot. Bonds3

About (R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine

(R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine (PubChem CID 171208037) has the molecular formula C13H15BrF3NO and a molecular weight of 338.17 g/mol. Its IUPAC name is (R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine.

Molecular Properties

Compound Name(R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine
PubChem CID171208037
Molecular FormulaC13H15BrF3NO
Molecular Weight338.17 g/mol
Exact Mass337.03
IUPAC Name(R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine
SMILESN[C@@H](c1cc(Br)ccc1OC(F)(F)F)C1CCCC1
InChIInChI=1S/C13H15BrF3NO/c14-9-5-6-11(19-13(15,16)17)10(7-9)12(18)8-3-1-2-4-8/h5-8,12H,1-4,18H2/t12-/m1/s1
InChIKeyIXLFQAODBMWEHW-GFCCVEGCSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclobutylmethanamine
CID 171227613
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine
CID 171227615
(1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol
CID 171263460
(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
CID 43311323
(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride
CID 171226092
(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride
CID 171206520
(S)-cyclobutyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methanamine
CID 171228325
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
(S)-cyclopentyl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
CID 171227912
(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308334

Frequently Asked Questions

What is the IUPAC name of (R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine?
The IUPAC name of (R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine (CID 171208037) is (R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine.
What is the SMILES notation for (R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine?
The canonical SMILES for (R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine is N[C@@H](c1cc(Br)ccc1OC(F)(F)F)C1CCCC1.
What is the InChIKey of (R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine?
The InChIKey is IXLFQAODBMWEHW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15BrF3NO/c14-9-5-6-11(19-13(15,16)17)10(7-9)12(18)8-3-1-2-4-8/h5-8,12H,1-4,18H2/t12-/m1/s1.
What are the key properties of (R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine?
(R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine has a molecular weight of 338.17 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine is sourced from PubChem (CID 171208037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).