(R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine

C11H9Cl2NS — CID 171202753

IUPAC(R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H9Cl2NS/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-6,11H,14H2/t11-/m1/s1
InChIKeyXNCXNCHYLCNEOP-LLVKDONJSA-N
MW258.17 g/mol
LogP4.10
Rot. Bonds2

About (R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine

(R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine (PubChem CID 171202753) has the molecular formula C11H9Cl2NS and a molecular weight of 258.17 g/mol. Its IUPAC name is (R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine
PubChem CID171202753
Molecular FormulaC11H9Cl2NS
Molecular Weight258.17 g/mol
Exact Mass256.98
IUPAC Name(R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H9Cl2NS/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-6,11H,14H2/t11-/m1/s1
InChIKeyXNCXNCHYLCNEOP-LLVKDONJSA-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

(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171232158
2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride
CID 171217231
(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
CID 171229047
(R)-(3,4-dichlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220907
(S)-(6-chloro-1,3-benzodioxol-5-yl)-thiophen-3-ylmethanamine
CID 171234793
(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113
2-[(S)-amino(thiophen-3-yl)methyl]-4-chloro-6-methylphenol;hydrochloride
CID 171215002
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197530
(2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802256
2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol
CID 171204756
1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857028

Frequently Asked Questions

What is the IUPAC name of (R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine (CID 171202753) is (R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine is N[C@H](c1ccsc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine?
The InChIKey is XNCXNCHYLCNEOP-LLVKDONJSA-N. The full InChI is InChI=1S/C11H9Cl2NS/c12-8-1-2-10(13)9(5-8)11(14)7-3-4-15-6-7/h1-6,11H,14H2/t11-/m1/s1.
What are the key properties of (R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine?
(R)-(2,5-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 (R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 171202753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).