(R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride

C11H9Cl4NS — CID 171232400

IUPAC(R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccs1)c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C11H8Cl3NS.ClH/c12-6-3-4-7(13)10(14)9(6)11(15)8-2-1-5-16-8;/h1-5,11H,15H2;1H/t11-;/m0./s1
InChIKeyKUGYOQSEYIKMLZ-MERQFXBCSA-N
MW329.08 g/mol
LogP5.18
Rot. Bonds2

About (R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride

(R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride (PubChem CID 171232400) has the molecular formula C11H9Cl4NS and a molecular weight of 329.08 g/mol. Its IUPAC name is (R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride
PubChem CID171232400
Molecular FormulaC11H9Cl4NS
Molecular Weight329.08 g/mol
Exact Mass326.92
IUPAC Name(R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccs1)c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C11H8Cl3NS.ClH/c12-6-3-4-7(13)10(14)9(6)11(15)8-2-1-5-16-8;/h1-5,11H,15H2;1H/t11-;/m0./s1
InChIKeyKUGYOQSEYIKMLZ-MERQFXBCSA-N
XLogP5.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.08
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171197939
(2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186711
(S)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
CID 171209277
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
(R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171231501
(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171202537
(R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine
CID 171229302
(R)-(5-bromo-2-chlorophenyl)-thiophen-2-ylmethanamine
CID 171223566
(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211135
(S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine
CID 131296076
(S)-(2-chloro-3-fluorophenyl)-thiophen-2-ylmethanamine
CID 171203052
(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223227

Frequently Asked Questions

What is the IUPAC name of (R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride?
The IUPAC name of (R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride (CID 171232400) is (R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride is Cl.N[C@@H](c1cccs1)c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of (R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride?
The InChIKey is KUGYOQSEYIKMLZ-MERQFXBCSA-N. The full InChI is InChI=1S/C11H8Cl3NS.ClH/c12-6-3-4-7(13)10(14)9(6)11(15)8-2-1-5-16-8;/h1-5,11H,15H2;1H/t11-;/m0./s1.
What are the key properties of (R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride?
(R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride has a molecular weight of 329.08 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 171232400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).