(R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride

C12H10BrClF3NOS — CID 171245706

IUPAC(R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(OC(F)(F)F)cc1)c1cc(Br)cs1
InChIInChI=1S/C12H9BrF3NOS.ClH/c13-8-5-10(19-6-8)11(17)7-1-3-9(4-2-7)18-12(14,15)16;/h1-6,11H,17H2;1H/t11-;/m1./s1
InChIKeyRHWKIKWBSLWILO-RFVHGSKJSA-N
MW388.64 g/mol
LogP4.88
Rot. Bonds3

About (R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride

(R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride (PubChem CID 171245706) has the molecular formula C12H10BrClF3NOS and a molecular weight of 388.64 g/mol. Its IUPAC name is (R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
PubChem CID171245706
Molecular FormulaC12H10BrClF3NOS
Molecular Weight388.64 g/mol
Exact Mass386.93
IUPAC Name(R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(OC(F)(F)F)cc1)c1cc(Br)cs1
InChIInChI=1S/C12H9BrF3NOS.ClH/c13-8-5-10(19-6-8)11(17)7-1-3-9(4-2-7)18-12(14,15)16;/h1-6,11H,17H2;1H/t11-;/m1./s1
InChIKeyRHWKIKWBSLWILO-RFVHGSKJSA-N
XLogP4.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171244775
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-bromophenol;hydrochloride
CID 171247977
(S)-(2-bromo-5-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171241289
N-[1-(4-bromothiophen-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 107353846
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
(S)-(2-bromo-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240548
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol
CID 171247817
(S)-[2-bromo-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171242075
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4,6-dibromoaniline
CID 171246069
(S)-(5-bromo-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240173
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
5-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,3-diol;hydrochloride
CID 171239519

Frequently Asked Questions

What is the IUPAC name of (R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of (R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride (CID 171245706) is (R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for (R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride is Cl.N[C@H](c1ccc(OC(F)(F)F)cc1)c1cc(Br)cs1.
What is the InChIKey of (R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is RHWKIKWBSLWILO-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H9BrF3NOS.ClH/c13-8-5-10(19-6-8)11(17)7-1-3-9(4-2-7)18-12(14,15)16;/h1-6,11H,17H2;1H/t11-;/m1./s1.
What are the key properties of (R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride?
(R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 388.64 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171245706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).