2-[(3-methylfuran-2-yl)methylamino]propan-1-ol

C9H15NO2 — CID 115656397

IUPAC2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
SMILESCc1ccoc1CNC(C)CO
InChIInChI=1S/C9H15NO2/c1-7-3-4-12-9(7)5-10-8(2)6-11/h3-4,8,10-11H,5-6H2,1-2H3
InChIKeyYLZSNGHUGRSEFW-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.06
Rot. Bonds4

About 2-[(3-methylfuran-2-yl)methylamino]propan-1-ol

2-[(3-methylfuran-2-yl)methylamino]propan-1-ol (PubChem CID 115656397) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-[(3-methylfuran-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
PubChem CID115656397
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
SMILESCc1ccoc1CNC(C)CO
InChIInChI=1S/C9H15NO2/c1-7-3-4-12-9(7)5-10-8(2)6-11/h3-4,8,10-11H,5-6H2,1-2H3
InChIKeyYLZSNGHUGRSEFW-UHFFFAOYSA-N
XLogP1.06
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylfuran-2-yl)methylamino]propan-1-ol?
The IUPAC name of 2-[(3-methylfuran-2-yl)methylamino]propan-1-ol (CID 115656397) is 2-[(3-methylfuran-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(3-methylfuran-2-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(3-methylfuran-2-yl)methylamino]propan-1-ol is Cc1ccoc1CNC(C)CO.
What is the InChIKey of 2-[(3-methylfuran-2-yl)methylamino]propan-1-ol?
The InChIKey is YLZSNGHUGRSEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-3-4-12-9(7)5-10-8(2)6-11/h3-4,8,10-11H,5-6H2,1-2H3.
What are the key properties of 2-[(3-methylfuran-2-yl)methylamino]propan-1-ol?
2-[(3-methylfuran-2-yl)methylamino]propan-1-ol has a molecular weight of 169.22 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylfuran-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 115656397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).