2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine

C8H15NO3 — CID 99988421

IUPAC2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine
SMILESCO[C@H]1C=C[C@@](CCN)(OC)O1
InChIInChI=1S/C8H15NO3/c1-10-7-3-4-8(11-2,12-7)5-6-9/h3-4,7H,5-6,9H2,1-2H3/t7-,8-/m1/s1
InChIKeyLIDTXJJLHMMBPP-HTQZYQBOSA-N
MW173.21 g/mol
LogP0.24
Rot. Bonds4

About 2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine

2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine (PubChem CID 99988421) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine
PubChem CID99988421
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine
SMILESCO[C@H]1C=C[C@@](CCN)(OC)O1
InChIInChI=1S/C8H15NO3/c1-10-7-3-4-8(11-2,12-7)5-6-9/h3-4,7H,5-6,9H2,1-2H3/t7-,8-/m1/s1
InChIKeyLIDTXJJLHMMBPP-HTQZYQBOSA-N
XLogP0.24
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine 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

2-(2,5-dimethoxy-2H-furan-5-yl)ethanamine
CID 102568268
[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol
CID 86312017
2,5-dimethoxy-5-(methoxymethyl)-2H-furan
CID 19900861
N-[2-(2,5-dimethoxy-2H-furan-5-yl)ethyl]acetamide
CID 102567645
(2S,5R)-2,5-dimethoxy-5-methyl-2H-furan
CID 7171182
(1R)-1-(2,5-dimethoxy-2H-furan-5-yl)ethanol
CID 2733897
(1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol
CID 7167551
1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate
CID 154138868
N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 7600861
methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate
CID 19354459
2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan
CID 158431138
N-[[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]methyl]-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619833

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine?
The IUPAC name of 2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine (CID 99988421) is 2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine.
What is the SMILES notation for 2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine?
The canonical SMILES for 2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine is CO[C@H]1C=C[C@@](CCN)(OC)O1.
What is the InChIKey of 2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine?
The InChIKey is LIDTXJJLHMMBPP-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NO3/c1-10-7-3-4-8(11-2,12-7)5-6-9/h3-4,7H,5-6,9H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of 2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine?
2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine has a molecular weight of 173.21 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine is sourced from PubChem (CID 99988421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).