2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride

C7H11Cl2NOS — CID 170891756

IUPAC2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccc(Cl)s1
InChIInChI=1S/C7H10ClNOS.ClH/c8-7-2-1-6(11-7)3-5(9)4-10;/h1-2,5,10H,3-4,9H2;1H
InChIKeyXOCROGSVZSCALB-UHFFFAOYSA-N
MW228.14 g/mol
LogP1.69
Rot. Bonds3

About 2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride

2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride (PubChem CID 170891756) has the molecular formula C7H11Cl2NOS and a molecular weight of 228.14 g/mol. Its IUPAC name is 2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
PubChem CID170891756
Molecular FormulaC7H11Cl2NOS
Molecular Weight228.14 g/mol
Exact Mass226.99
IUPAC Name2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccc(Cl)s1
InChIInChI=1S/C7H10ClNOS.ClH/c8-7-2-1-6(11-7)3-5(9)4-10;/h1-2,5,10H,3-4,9H2;1H
InChIKeyXOCROGSVZSCALB-UHFFFAOYSA-N
XLogP1.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
2-(aminomethyl)-3-(5-chlorothiophen-2-yl)propan-1-ol
CID 55220976
1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine
CID 63891076
1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine
CID 79952579
2-(5-chlorothiophen-2-yl)-1-cyclopropylethanamine
CID 62602598
1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine
CID 105135075
2-amino-3-[2-(5-chlorothiophen-2-yl)ethyl-methylamino]propan-1-ol
CID 115120936
1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899977
2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine
CID 65398933
1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 62607560
1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine
CID 105135317
ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 62962765

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride (CID 170891756) is 2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride is Cl.NC(CO)Cc1ccc(Cl)s1.
What is the InChIKey of 2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride?
The InChIKey is XOCROGSVZSCALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNOS.ClH/c8-7-2-1-6(11-7)3-5(9)4-10;/h1-2,5,10H,3-4,9H2;1H.
What are the key properties of 2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride?
2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride has a molecular weight of 228.14 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170891756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).