(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride

C11H10Cl3NS — CID 171197939

IUPAC(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1cccs1)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H9Cl2NS.ClH/c12-7-3-1-4-8(13)10(7)11(14)9-5-2-6-15-9;/h1-6,11H,14H2;1H/t11-;/m1./s1
InChIKeyXUBDMHOFNPCOES-RFVHGSKJSA-N
MW294.63 g/mol
LogP4.52
Rot. Bonds2

About (S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride

(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 171197939) has the molecular formula C11H10Cl3NS and a molecular weight of 294.63 g/mol. Its IUPAC name is (S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
PubChem CID171197939
Molecular FormulaC11H10Cl3NS
Molecular Weight294.63 g/mol
Exact Mass292.96
IUPAC Name(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1cccs1)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H9Cl2NS.ClH/c12-7-3-1-4-8(13)10(7)11(14)9-5-2-6-15-9;/h1-6,11H,14H2;1H/t11-;/m1./s1
InChIKeyXUBDMHOFNPCOES-RFVHGSKJSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.63
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-6-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186711
(R)-thiophen-2-yl-(2,3,6-trichlorophenyl)methanamine;hydrochloride
CID 171232400
(S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine
CID 131296076
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
(3-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80529772
(S)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
CID 171209277
(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171202537
(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223227
(R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171231501
(3-bromothiophen-2-yl)-(2,6-dichlorophenyl)methanamine
CID 80534984
6-amino-2-[(R)-amino(thiophen-2-yl)methyl]-3-methylphenol;hydrochloride
CID 171253592
(R)-(2-chloro-6-fluoro-3-methylphenyl)-thiophen-2-ylmethanamine
CID 171229302

Frequently Asked Questions

What is the IUPAC name of (S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride (CID 171197939) is (S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride is Cl.N[C@H](c1cccs1)c1c(Cl)cccc1Cl.
What is the InChIKey of (S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is XUBDMHOFNPCOES-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H9Cl2NS.ClH/c12-7-3-1-4-8(13)10(7)11(14)9-5-2-6-15-9;/h1-6,11H,14H2;1H/t11-;/m1./s1.
What are the key properties of (S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride has a molecular weight of 294.63 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 171197939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).