2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride

C11H10Cl3NOS — CID 171217231

IUPAC2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H9Cl2NOS.ClH/c12-7-3-8(11(15)9(13)4-7)10(14)6-1-2-16-5-6;/h1-5,10,15H,14H2;1H/t10-;/m0./s1
InChIKeyLZYLOZLNVUHXCF-PPHPATTJSA-N
MW310.63 g/mol
LogP4.23
Rot. Bonds2

About 2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride

2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride (PubChem CID 171217231) has the molecular formula C11H10Cl3NOS and a molecular weight of 310.63 g/mol. Its IUPAC name is 2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride
PubChem CID171217231
Molecular FormulaC11H10Cl3NOS
Molecular Weight310.63 g/mol
Exact Mass308.95
IUPAC Name2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride
SMILESCl.N[C@@H](c1ccsc1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H9Cl2NOS.ClH/c12-7-3-8(11(15)9(13)4-7)10(14)6-1-2-16-5-6;/h1-5,10,15H,14H2;1H/t10-;/m0./s1
InChIKeyLZYLOZLNVUHXCF-PPHPATTJSA-N
XLogP4.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.63
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;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-[(S)-amino(thiophen-3-yl)methyl]-4-chloro-6-methylphenol;hydrochloride
CID 171215002
2-[(S)-amino(thiophen-3-yl)methyl]-6-chlorophenol
CID 171204756
(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171232158
(R)-(2,5-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171202753
2-[(S)-amino(thiophen-3-yl)methyl]-4,6-diiodophenol
CID 171215887
3-[(R)-amino(thiophen-3-yl)methyl]benzene-1,2-diol
CID 171220543
(R)-(3,4-dichlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220907
4-[(R)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171218710
4-[(S)-amino(thiophen-3-yl)methyl]-3-fluorophenol;hydrochloride
CID 171199193
2-[(R)-amino(thiophen-3-yl)methyl]-4-fluoro-6-methylphenol
CID 171224998
(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113
4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride
CID 171235478

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride (CID 171217231) is 2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride is Cl.N[C@@H](c1ccsc1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride?
The InChIKey is LZYLOZLNVUHXCF-PPHPATTJSA-N. The full InChI is InChI=1S/C11H9Cl2NOS.ClH/c12-7-3-8(11(15)9(13)4-7)10(14)6-1-2-16-5-6;/h1-5,10,15H,14H2;1H/t10-;/m0./s1.
What are the key properties of 2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride?
2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride has a molecular weight of 310.63 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(thiophen-3-yl)methyl]-4,6-dichlorophenol;hydrochloride is sourced from PubChem (CID 171217231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).