(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride

C11H10Cl3NS — CID 171202537

IUPAC(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(Cl)cc(Cl)c1)c1cccs1
InChIInChI=1S/C11H9Cl2NS.ClH/c12-8-4-7(5-9(13)6-8)11(14)10-2-1-3-15-10;/h1-6,11H,14H2;1H/t11-;/m0./s1
InChIKeyRFTOCMFNNWBSAL-MERQFXBCSA-N
MW294.63 g/mol
LogP4.52
Rot. Bonds2

About (S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride

(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 171202537) has the molecular formula C11H10Cl3NS and a molecular weight of 294.63 g/mol. Its IUPAC name is (S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
PubChem CID171202537
Molecular FormulaC11H10Cl3NS
Molecular Weight294.63 g/mol
Exact Mass292.96
IUPAC Name(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(Cl)cc(Cl)c1)c1cccs1
InChIInChI=1S/C11H9Cl2NS.ClH/c12-8-4-7(5-9(13)6-8)11(14)10-2-1-3-15-10;/h1-6,11H,14H2;1H/t11-;/m0./s1
InChIKeyRFTOCMFNNWBSAL-MERQFXBCSA-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

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Related Compounds

(R)-[3-chloro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
CID 171234951
(3,5-dibromophenyl)-thiophen-2-ylmethanamine
CID 107973859
(R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171231501
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
(S)-(2,6-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171197939
(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211135
(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171229492
4-[(R)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol
CID 131297133
2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride
CID 171217144
(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223526
2-[(S)-amino(thiophen-2-yl)methyl]-4-chloroaniline
CID 171214226

Frequently Asked Questions

What is the IUPAC name of (S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride (CID 171202537) is (S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride is Cl.N[C@@H](c1cc(Cl)cc(Cl)c1)c1cccs1.
What is the InChIKey of (S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is RFTOCMFNNWBSAL-MERQFXBCSA-N. The full InChI is InChI=1S/C11H9Cl2NS.ClH/c12-8-4-7(5-9(13)6-8)11(14)10-2-1-3-15-10;/h1-6,11H,14H2;1H/t11-;/m0./s1.
What are the key properties of (S)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
(S)-(3,5-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)-(3,5-dichlorophenyl)-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 171202537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).