(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride

C11H10BrClFNS — CID 171223526

IUPAC(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1cc(F)cc(Br)c1)c1cccs1
InChIInChI=1S/C11H9BrFNS.ClH/c12-8-4-7(5-9(13)6-8)11(14)10-2-1-3-15-10;/h1-6,11H,14H2;1H/t11-;/m1./s1
InChIKeyAXGAQHMMJXWLDL-RFVHGSKJSA-N
MW322.63 g/mol
LogP4.12
Rot. Bonds2

About (R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride

(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 171223526) has the molecular formula C11H10BrClFNS and a molecular weight of 322.63 g/mol. Its IUPAC name is (R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
PubChem CID171223526
Molecular FormulaC11H10BrClFNS
Molecular Weight322.63 g/mol
Exact Mass320.94
IUPAC Name(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1cc(F)cc(Br)c1)c1cccs1
InChIInChI=1S/C11H9BrFNS.ClH/c12-8-4-7(5-9(13)6-8)11(14)10-2-1-3-15-10;/h1-6,11H,14H2;1H/t11-;/m1./s1
InChIKeyAXGAQHMMJXWLDL-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

(3,5-dibromophenyl)-thiophen-2-ylmethanamine
CID 107973859
(R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
CID 171227008
(R)-(4-bromo-2,6-difluorophenyl)-thiophen-2-ylmethanamine
CID 131608140
(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
CID 66423670
1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171276826
1-[(S)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171289451
N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490530
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171204986
(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171202537
(R)-(4-bromo-3,5-dimethoxyphenyl)-thiophen-2-ylmethanamine
CID 171221826
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
(R)-(2,4-difluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171218565

Frequently Asked Questions

What is the IUPAC name of (R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride (CID 171223526) is (R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride is Cl.N[C@H](c1cc(F)cc(Br)c1)c1cccs1.
What is the InChIKey of (R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is AXGAQHMMJXWLDL-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H9BrFNS.ClH/c12-8-4-7(5-9(13)6-8)11(14)10-2-1-3-15-10;/h1-6,11H,14H2;1H/t11-;/m1./s1.
What are the key properties of (R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
(R)-(3-bromo-5-fluorophenyl)-thiophen-2-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 (R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 171223526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).