(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine

C12H9BrF3NOS — CID 171208041

IUPAC(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine
SMILESN[C@H](c1cccs1)c1cc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C12H9BrF3NOS/c13-7-3-4-9(18-12(14,15)16)8(6-7)11(17)10-2-1-5-19-10/h1-6,11H,17H2/t11-/m0/s1
InChIKeySOSPYWWJJUJQHT-NSHDSACASA-N
MW352.18 g/mol
LogP4.46
Rot. Bonds3

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

(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine (PubChem CID 171208041) has the molecular formula C12H9BrF3NOS and a molecular weight of 352.18 g/mol. Its IUPAC name is (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine
PubChem CID171208041
Molecular FormulaC12H9BrF3NOS
Molecular Weight352.18 g/mol
Exact Mass350.95
IUPAC Name(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine
SMILESN[C@H](c1cccs1)c1cc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C12H9BrF3NOS/c13-7-3-4-9(18-12(14,15)16)8(6-7)11(17)10-2-1-5-19-10/h1-6,11H,17H2/t11-/m0/s1
InChIKeySOSPYWWJJUJQHT-NSHDSACASA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(5-bromo-2-chlorophenyl)-thiophen-2-ylmethanamine
CID 171223566
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine
CID 171227615
(R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine
CID 171208037
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclobutylmethanamine
CID 171227613
(1S)-1-[5-bromo-2-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171227585
(5-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43464539
(2S)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171208056
(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850913
2-[(S)-amino(thiophen-2-yl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210148
(3R)-3-amino-3-[5-bromo-2-(trifluoromethoxy)phenyl]propanenitrile;hydrochloride
CID 171260499
(1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol
CID 171263460
(S)-(5-bromo-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240173

Frequently Asked Questions

What is the IUPAC name of (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine?
The IUPAC name of (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine (CID 171208041) is (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine.
What is the SMILES notation for (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine?
The canonical SMILES for (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine is N[C@H](c1cccs1)c1cc(Br)ccc1OC(F)(F)F.
What is the InChIKey of (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine?
The InChIKey is SOSPYWWJJUJQHT-NSHDSACASA-N. The full InChI is InChI=1S/C12H9BrF3NOS/c13-7-3-4-9(18-12(14,15)16)8(6-7)11(17)10-2-1-5-19-10/h1-6,11H,17H2/t11-/m0/s1.
What are the key properties of (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine?
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine has a molecular weight of 352.18 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[5-bromo-2-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanamine is sourced from PubChem (CID 171208041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).