1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol

C11H17NO2 — CID 115653950

IUPAC1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol
SMILESCc1ccoc1CNCC(O)C1CC1
InChIInChI=1S/C11H17NO2/c1-8-4-5-14-11(8)7-12-6-10(13)9-2-3-9/h4-5,9-10,12-13H,2-3,6-7H2,1H3
InChIKeyXYMFWQQVYAHYKH-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.45
Rot. Bonds5

About 1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol

1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol (PubChem CID 115653950) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol
PubChem CID115653950
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol
SMILESCc1ccoc1CNCC(O)C1CC1
InChIInChI=1S/C11H17NO2/c1-8-4-5-14-11(8)7-12-6-10(13)9-2-3-9/h4-5,9-10,12-13H,2-3,6-7H2,1H3
InChIKeyXYMFWQQVYAHYKH-UHFFFAOYSA-N
XLogP1.45
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol (CID 115653950) is 1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol is Cc1ccoc1CNCC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol?
The InChIKey is XYMFWQQVYAHYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-4-5-14-11(8)7-12-6-10(13)9-2-3-9/h4-5,9-10,12-13H,2-3,6-7H2,1H3.
What are the key properties of 1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol?
1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol has a molecular weight of 195.26 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol is sourced from PubChem (CID 115653950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).