(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride

C11H10BrClFNS — CID 171223227

IUPAC(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1cccs1)c1c(F)cccc1Br
InChIInChI=1S/C11H9BrFNS.ClH/c12-7-3-1-4-8(13)10(7)11(14)9-5-2-6-15-9;/h1-6,11H,14H2;1H/t11-;/m0./s1
InChIKeyDARZFSZPEZYTGH-MERQFXBCSA-N
MW322.63 g/mol
LogP4.12
Rot. Bonds2

About (R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride

(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 171223227) has the molecular formula C11H10BrClFNS and a molecular weight of 322.63 g/mol. Its IUPAC name is (R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
PubChem CID171223227
Molecular FormulaC11H10BrClFNS
Molecular Weight322.63 g/mol
Exact Mass320.94
IUPAC Name(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1cccs1)c1c(F)cccc1Br
InChIInChI=1S/C11H9BrFNS.ClH/c12-7-3-1-4-8(13)10(7)11(14)9-5-2-6-15-9;/h1-6,11H,14H2;1H/t11-;/m0./s1
InChIKeyDARZFSZPEZYTGH-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

(2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186711
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
2-[(S)-amino(thiophen-2-yl)methyl]-6-bromo-3-fluorophenol
CID 131523204
(R)-(4-bromo-2,6-difluorophenyl)-thiophen-2-ylmethanamine
CID 131608140
(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 114558836
(R)-(2-bromo-6-fluorophenyl)-thiophen-3-ylmethanamine
CID 171203659
2-[(R)-amino(thiophen-2-yl)methyl]-6-bromo-3,4-difluorophenol
CID 171254508
(S)-(2-chloro-3-fluorophenyl)-thiophen-2-ylmethanamine
CID 171203052
1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171276674
(2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine
CID 114559117
(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 114558834
(R)-(2,3-difluorophenyl)-thiophen-2-ylmethanamine
CID 94532686

Frequently Asked Questions

What is the IUPAC name of (R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride (CID 171223227) is (R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride is Cl.N[C@@H](c1cccs1)c1c(F)cccc1Br.
What is the InChIKey of (R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is DARZFSZPEZYTGH-MERQFXBCSA-N. The full InChI is InChI=1S/C11H9BrFNS.ClH/c12-7-3-1-4-8(13)10(7)11(14)9-5-2-6-15-9;/h1-6,11H,14H2;1H/t11-;/m0./s1.
What are the key properties of (R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
(R)-(2-bromo-6-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)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 171223227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).