3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol

C9H15NO2 — CID 28714744

IUPAC3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
SMILESC[C@@H](NCCCO)c1ccco1
InChIInChI=1S/C9H15NO2/c1-8(10-5-3-6-11)9-4-2-7-12-9/h2,4,7-8,10-11H,3,5-6H2,1H3/t8-/m1/s1
InChIKeyFLFMEPILQDFHFR-MRVPVSSYSA-N
MW169.22 g/mol
LogP1.31
Rot. Bonds5

About 3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol

3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol (PubChem CID 28714744) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
PubChem CID28714744
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
SMILESC[C@@H](NCCCO)c1ccco1
InChIInChI=1S/C9H15NO2/c1-8(10-5-3-6-11)9-4-2-7-12-9/h2,4,7-8,10-11H,3,5-6H2,1H3/t8-/m1/s1
InChIKeyFLFMEPILQDFHFR-MRVPVSSYSA-N
XLogP1.31
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
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-[[(1R)-1-(furan-2-yl)ethyl]amino]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

N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
5-[1-(furan-2-yl)ethylamino]pentanenitrile
CID 60698105
N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine
CID 115708089
N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine
CID 81399861
methyl 3-[1-(furan-2-yl)ethylamino]propanoate
CID 43139742
tert-butyl N-[3-[1-(furan-2-yl)ethylamino]propyl]-N-methylcarbamate
CID 103781251
3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol
CID 81411975
3-[1-(furan-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414268

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol (CID 28714744) is 3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol is C[C@@H](NCCCO)c1ccco1.
What is the InChIKey of 3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol?
The InChIKey is FLFMEPILQDFHFR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(10-5-3-6-11)9-4-2-7-12-9/h2,4,7-8,10-11H,3,5-6H2,1H3/t8-/m1/s1.
What are the key properties of 3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol?
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol has a molecular weight of 169.22 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 28714744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).