3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol

C10H17NO2 — CID 62346673

IUPAC3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
SMILESCCc1ccc(CNCCCO)o1
InChIInChI=1S/C10H17NO2/c1-2-9-4-5-10(13-9)8-11-6-3-7-12/h4-5,11-12H,2-3,6-8H2,1H3
InChIKeyMPWPZPIQOFIBNC-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.31
Rot. Bonds6

About 3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol

3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol (PubChem CID 62346673) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
PubChem CID62346673
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
SMILESCCc1ccc(CNCCCO)o1
InChIInChI=1S/C10H17NO2/c1-2-9-4-5-10(13-9)8-11-6-3-7-12/h4-5,11-12H,2-3,6-8H2,1H3
InChIKeyMPWPZPIQOFIBNC-UHFFFAOYSA-N
XLogP1.31
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol
CID 115710395
2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
CID 62347388
6-[(5-ethylfuran-2-yl)methylamino]hexan-3-ol
CID 115697548
4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine
CID 115697359
5-[(3-hydroxypropylamino)methyl]furan-2-carbonitrile
CID 115651259
3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 114136736
N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine
CID 115697427
2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol
CID 65312665
N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine
CID 62346664
N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115699316
3-[(5-ethylfuran-2-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857374
[5-[(3-methoxypropylamino)methyl]furan-2-yl]methanol
CID 64577829

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol?
The IUPAC name of 3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol (CID 62346673) is 3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol is CCc1ccc(CNCCCO)o1.
What is the InChIKey of 3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol?
The InChIKey is MPWPZPIQOFIBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-9-4-5-10(13-9)8-11-6-3-7-12/h4-5,11-12H,2-3,6-8H2,1H3.
What are the key properties of 3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol?
3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 62346673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).