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

C11H10BrClFNS — CID 171220162

IUPAC(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1cc(Br)ccc1F
InChIInChI=1S/C11H9BrFNS.ClH/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7;/h1-6,11H,14H2;1H/t11-;/m0./s1
InChIKeySRHHGDMJJGYBFR-MERQFXBCSA-N
MW322.63 g/mol
LogP4.12
Rot. Bonds2

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

(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171220162) has the molecular formula C11H10BrClFNS and a molecular weight of 322.63 g/mol. Its IUPAC name is (R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171220162
Molecular FormulaC11H10BrClFNS
Molecular Weight322.63 g/mol
Exact Mass320.94
IUPAC Name(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1cc(Br)ccc1F
InChIInChI=1S/C11H9BrFNS.ClH/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7;/h1-6,11H,14H2;1H/t11-;/m0./s1
InChIKeySRHHGDMJJGYBFR-MERQFXBCSA-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

(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171204988
(S)-(5-bromo-2-fluoro-3-methylphenyl)-thiophen-3-ylmethanamine
CID 171204987
(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171216256
(2-fluorophenyl)-thiophen-3-ylmethanamine
CID 62502632
(5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464834
(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171216255
(R)-(2-fluoro-5-nitrophenyl)-thiophen-3-ylmethanamine
CID 171225553
(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171229652
4-[(R)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171218710
2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dibromoaniline
CID 171219021
4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171199193

Frequently Asked Questions

What is the IUPAC name of (R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171220162) is (R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@@H](c1ccsc1)c1cc(Br)ccc1F.
What is the InChIKey of (R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is SRHHGDMJJGYBFR-MERQFXBCSA-N. The full InChI is InChI=1S/C11H9BrFNS.ClH/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7;/h1-6,11H,14H2;1H/t11-;/m0./s1.
What are the key properties of (R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride?
(R)-(5-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 (R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171220162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).