(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine

C11H11BrF3NO — CID 171227615

IUPAC(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine
SMILESN[C@H](c1cc(Br)ccc1OC(F)(F)F)C1CC1
InChIInChI=1S/C11H11BrF3NO/c12-7-3-4-9(17-11(13,14)15)8(5-7)10(16)6-1-2-6/h3-6,10H,1-2,16H2/t10-/m0/s1
InChIKeyDHOIGCJDPSHFHP-JTQLQIEISA-N
MW310.11 g/mol
LogP3.76
Rot. Bonds3

About (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine

(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine (PubChem CID 171227615) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine.

Molecular Properties

Compound Name(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine
PubChem CID171227615
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine
SMILESN[C@H](c1cc(Br)ccc1OC(F)(F)F)C1CC1
InChIInChI=1S/C11H11BrF3NO/c12-7-3-4-9(17-11(13,14)15)8(5-7)10(16)6-1-2-6/h3-6,10H,1-2,16H2/t10-/m0/s1
InChIKeyDHOIGCJDPSHFHP-JTQLQIEISA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine
CID 171208037
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclobutylmethanamine
CID 171227613
(1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol
CID 171263460
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516
(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308334
(1S)-1-[5-bromo-2-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171227585
(2S)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171208056
(3S)-3-amino-3-[5-bromo-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-ol
CID 171242353
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine
CID 171208041
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
(S)-cyclobutyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methanamine
CID 171228325
(3R)-3-amino-3-[5-bromo-2-(trifluoromethoxy)phenyl]propanenitrile;hydrochloride
CID 171260499

Frequently Asked Questions

What is the IUPAC name of (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine?
The IUPAC name of (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine (CID 171227615) is (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine.
What is the SMILES notation for (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine?
The canonical SMILES for (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine is N[C@H](c1cc(Br)ccc1OC(F)(F)F)C1CC1.
What is the InChIKey of (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine?
The InChIKey is DHOIGCJDPSHFHP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11BrF3NO/c12-7-3-4-9(17-11(13,14)15)8(5-7)10(16)6-1-2-6/h3-6,10H,1-2,16H2/t10-/m0/s1.
What are the key properties of (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine?
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine has a molecular weight of 310.11 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine is sourced from PubChem (CID 171227615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).