(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride

C12H12BrClFNS — CID 171204988

IUPAC(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCc1cc(Br)cc([C@H](N)c2ccsc2)c1F.Cl
InChIInChI=1S/C12H11BrFNS.ClH/c1-7-4-9(13)5-10(11(7)14)12(15)8-2-3-16-6-8;/h2-6,12H,15H2,1H3;1H/t12-;/m1./s1
InChIKeyBCVNTFPLMOFNKL-UTONKHPSSA-N
MW336.66 g/mol
LogP4.43
Rot. Bonds2

About (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride

(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171204988) has the molecular formula C12H12BrClFNS and a molecular weight of 336.66 g/mol. Its IUPAC name is (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171204988
Molecular FormulaC12H12BrClFNS
Molecular Weight336.66 g/mol
Exact Mass334.95
IUPAC Name(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCc1cc(Br)cc([C@H](N)c2ccsc2)c1F.Cl
InChIInChI=1S/C12H11BrFNS.ClH/c1-7-4-9(13)5-10(11(7)14)12(15)8-2-3-16-6-8;/h2-6,12H,15H2,1H3;1H/t12-;/m1./s1
InChIKeyBCVNTFPLMOFNKL-UTONKHPSSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.66
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine
CID 171204987
(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220162
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171204986
2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dibromoaniline
CID 171219021
(S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171203703
(R)-(2,4-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171232778
(S)-(2-bromo-4-methylphenyl)-thiophen-3-ylmethanamine
CID 171221689
2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol
CID 171224998
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924
(1S)-1-(5-bromo-2-fluoro-3-methylphenyl)-2-fluoroethanamine;hydrochloride
CID 171204956
(S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210314
(4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine
CID 106762249

Frequently Asked Questions

What is the IUPAC name of (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171204988) is (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride is Cc1cc(Br)cc([C@H](N)c2ccsc2)c1F.Cl.
What is the InChIKey of (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is BCVNTFPLMOFNKL-UTONKHPSSA-N. The full InChI is InChI=1S/C12H11BrFNS.ClH/c1-7-4-9(13)5-10(11(7)14)12(15)8-2-3-16-6-8;/h2-6,12H,15H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride?
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 336.66 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171204988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).