1-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol

C11H17NOS — CID 63295032

IUPAC1-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol
SMILESCc1ccc(CNCC(O)C2CC2)s1
InChIInChI=1S/C11H17NOS/c1-8-2-5-10(14-8)6-12-7-11(13)9-3-4-9/h2,5,9,11-13H,3-4,6-7H2,1H3
InChIKeyBJEVWODYIHTKAH-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.92
Rot. Bonds5

About 1-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol

1-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol (PubChem CID 63295032) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol
PubChem CID63295032
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol
SMILESCc1ccc(CNCC(O)C2CC2)s1
InChIInChI=1S/C11H17NOS/c1-8-2-5-10(14-8)6-12-7-11(13)9-3-4-9/h2,5,9,11-13H,3-4,6-7H2,1H3
InChIKeyBJEVWODYIHTKAH-UHFFFAOYSA-N
XLogP1.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol (CID 63295032) is 1-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol is Cc1ccc(CNCC(O)C2CC2)s1.
What is the InChIKey of 1-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol?
The InChIKey is BJEVWODYIHTKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-2-5-10(14-8)6-12-7-11(13)9-3-4-9/h2,5,9,11-13H,3-4,6-7H2,1H3.
What are the key properties of 1-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol?
1-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol has a molecular weight of 211.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(5-methylthiophen-2-yl)methylamino]ethanol is sourced from PubChem (CID 63295032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).