(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine

C11H9Cl2NS — CID 171232158

IUPAC(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine
SMILESN[C@@H](c1ccsc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2NS/c12-8-1-2-9(10(13)5-8)11(14)7-3-4-15-6-7/h1-6,11H,14H2/t11-/m0/s1
InChIKeyPSMQLRBANYACIG-NSHDSACASA-N
MW258.17 g/mol
LogP4.10
Rot. Bonds2

About (S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine

(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine (PubChem CID 171232158) has the molecular formula C11H9Cl2NS and a molecular weight of 258.17 g/mol. Its IUPAC name is (S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine
PubChem CID171232158
Molecular FormulaC11H9Cl2NS
Molecular Weight258.17 g/mol
Exact Mass256.98
IUPAC Name(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine
SMILESN[C@@H](c1ccsc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2NS/c12-8-1-2-9(10(13)5-8)11(14)7-3-4-15-6-7/h1-6,11H,14H2/t11-/m0/s1
InChIKeyPSMQLRBANYACIG-NSHDSACASA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171202753
2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride
CID 171217231
N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine
CID 55033046
(S)-(6-chloro-1,3-benzodioxol-5-yl)-thiophen-3-ylmethanamine
CID 171234793
(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924
(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
CID 171229047
(R)-(3,4-dichlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220907
2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol
CID 171204756
4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171199193
4-[(R)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171218710
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339

Frequently Asked Questions

What is the IUPAC name of (S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine (CID 171232158) is (S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine is N[C@@H](c1ccsc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine?
The InChIKey is PSMQLRBANYACIG-NSHDSACASA-N. The full InChI is InChI=1S/C11H9Cl2NS/c12-8-1-2-9(10(13)5-8)11(14)7-3-4-15-6-7/h1-6,11H,14H2/t11-/m0/s1.
What are the key properties of (S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine?
(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine has a molecular weight of 258.17 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 171232158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).