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

C12H12BrClFNS — CID 171204986

IUPAC(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCc1cc(Br)cc([C@H](N)c2cccs2)c1F.Cl
InChIInChI=1S/C12H11BrFNS.ClH/c1-7-5-8(13)6-9(11(7)14)12(15)10-3-2-4-16-10;/h2-6,12H,15H2,1H3;1H/t12-;/m0./s1
InChIKeyJUVHCQCYADBQRY-YDALLXLXSA-N
MW336.66 g/mol
LogP4.43
Rot. Bonds2

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

(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 171204986) 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-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
PubChem CID171204986
Molecular FormulaC12H12BrClFNS
Molecular Weight336.66 g/mol
Exact Mass334.95
IUPAC Name(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCc1cc(Br)cc([C@H](N)c2cccs2)c1F.Cl
InChIInChI=1S/C12H11BrFNS.ClH/c1-7-5-8(13)6-9(11(7)14)12(15)10-3-2-4-16-10;/h2-6,12H,15H2,1H3;1H/t12-;/m0./s1
InChIKeyJUVHCQCYADBQRY-YDALLXLXSA-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;hydrochloride
CID 171204988
(R)-(2,3-difluoro-4-methylphenyl)-thiophen-2-ylmethanamine
CID 131300822
(S)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171201828
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine
CID 171204987
(R)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine
CID 131473320
(R)-(4-bromo-2,6-difluorophenyl)-thiophen-2-ylmethanamine
CID 131608140
(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223526
2-[(R)-amino(thiophen-2-yl)methyl]-4,6-dibromophenol
CID 131274072
2-[(R)-amino(thiophen-2-yl)methyl]-4-bromo-6-methoxyphenol;hydrochloride
CID 171232515
(1S)-1-(5-bromo-2-fluoro-3-methylphenyl)-2-fluoroethanamine;hydrochloride
CID 171204956
(R)-(5-bromo-2-chlorophenyl)-thiophen-2-ylmethanamine
CID 171223566
(R)-(3-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223396

Frequently Asked Questions

What is the IUPAC name of (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride (CID 171204986) is (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride is Cc1cc(Br)cc([C@H](N)c2cccs2)c1F.Cl.
What is the InChIKey of (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is JUVHCQCYADBQRY-YDALLXLXSA-N. The full InChI is InChI=1S/C12H11BrFNS.ClH/c1-7-5-8(13)6-9(11(7)14)12(15)10-3-2-4-16-10;/h2-6,12H,15H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride?
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-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-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 171204986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).