(S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride

C11H10BrClFNS — CID 171203703

IUPAC(S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1cccc(Br)c1F
InChIInChI=1S/C11H9BrFNS.ClH/c12-9-3-1-2-8(10(9)13)11(14)7-4-5-15-6-7;/h1-6,11H,14H2;1H/t11-;/m1./s1
InChIKeyGMYMXFNNNFXOCS-RFVHGSKJSA-N
MW322.63 g/mol
LogP4.12
Rot. Bonds2

About (S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride

(S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171203703) has the molecular formula C11H10BrClFNS and a molecular weight of 322.63 g/mol. Its IUPAC name is (S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171203703
Molecular FormulaC11H10BrClFNS
Molecular Weight322.63 g/mol
Exact Mass320.94
IUPAC Name(S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1cccc(Br)c1F
InChIInChI=1S/C11H9BrFNS.ClH/c12-9-3-1-2-8(10(9)13)11(14)7-4-5-15-6-7;/h1-6,11H,14H2;1H/t11-;/m1./s1
InChIKeyGMYMXFNNNFXOCS-RFVHGSKJSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.63
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3-bromo-2-fluorophenyl)-thiophen-3-ylmethyl]hydrazine
CID 106648589
(4-bromo-3-chloro-2-fluorophenyl)-thiophen-3-ylmethanamine
CID 106762249
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171207818
(R)-(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanamine
CID 171203659
2-[(R)-amino(thiophen-3-yl)methyl]-6-fluorophenol;hydrochloride
CID 171218453
(2-fluorophenyl)-thiophen-3-ylmethanamine
CID 62502632
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435
(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220162
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171204988
(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine
CID 106647995
(S)-(2,3,4,5,6-pentafluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210314
(S)-[3-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171211443

Frequently Asked Questions

What is the IUPAC name of (S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171203703) is (S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@H](c1ccsc1)c1cccc(Br)c1F.
What is the InChIKey of (S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is GMYMXFNNNFXOCS-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H9BrFNS.ClH/c12-9-3-1-2-8(10(9)13)11(14)7-4-5-15-6-7;/h1-6,11H,14H2;1H/t11-;/m1./s1.
What are the key properties of (S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
(S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 322.63 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171203703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).