1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol;hydrochloride

C9H16ClNOS — CID 17308996

IUPAC1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol;hydrochloride
SMILESCc1ccsc1CNCC(C)O.Cl
InChIInChI=1S/C9H15NOS.ClH/c1-7-3-4-12-9(7)6-10-5-8(2)11;/h3-4,8,10-11H,5-6H2,1-2H3;1H
InChIKeyUMAKAFIUEGBJOU-UHFFFAOYSA-N
MW221.75 g/mol
LogP1.95
Rot. Bonds4

About 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol;hydrochloride

1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol;hydrochloride (PubChem CID 17308996) has the molecular formula C9H16ClNOS and a molecular weight of 221.75 g/mol. Its IUPAC name is 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol;hydrochloride
PubChem CID17308996
Molecular FormulaC9H16ClNOS
Molecular Weight221.75 g/mol
Exact Mass221.06
IUPAC Name1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol;hydrochloride
SMILESCc1ccsc1CNCC(C)O.Cl
InChIInChI=1S/C9H15NOS.ClH/c1-7-3-4-12-9(7)6-10-5-8(2)11;/h3-4,8,10-11H,5-6H2,1-2H3;1H
InChIKeyUMAKAFIUEGBJOU-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.75
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol;hydrochloride?
The IUPAC name of 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol;hydrochloride (CID 17308996) is 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol;hydrochloride is Cc1ccsc1CNCC(C)O.Cl.
What is the InChIKey of 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol;hydrochloride?
The InChIKey is UMAKAFIUEGBJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS.ClH/c1-7-3-4-12-9(7)6-10-5-8(2)11;/h3-4,8,10-11H,5-6H2,1-2H3;1H.
What are the key properties of 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol;hydrochloride?
1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol;hydrochloride has a molecular weight of 221.75 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 17308996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).