2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine

C12H21NO3 — CID 81400852

IUPAC2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine
SMILESCCOC(CN[C@@H](C)c1ccco1)OCC
InChIInChI=1S/C12H21NO3/c1-4-14-12(15-5-2)9-13-10(3)11-7-6-8-16-11/h6-8,10,12-13H,4-5,9H2,1-3H3/t10-/m0/s1
InChIKeyFVVAMVQCTNKMHH-JTQLQIEISA-N
MW227.30 g/mol
LogP2.33
Rot. Bonds8

About 2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine

2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine (PubChem CID 81400852) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine
PubChem CID81400852
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine
SMILESCCOC(CN[C@@H](C)c1ccco1)OCC
InChIInChI=1S/C12H21NO3/c1-4-14-12(15-5-2)9-13-10(3)11-7-6-8-16-11/h6-8,10,12-13H,4-5,9H2,1-3H3/t10-/m0/s1
InChIKeyFVVAMVQCTNKMHH-JTQLQIEISA-N
XLogP2.33
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine
CID 81403881
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
CID 43208007
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate
CID 103238482
1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol
CID 54938711
N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine
CID 81400648
1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine
CID 102987416
N-[(1S)-1-(2-chlorophenyl)ethyl]-2,2-diethoxyethanamine
CID 81378877
N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876308
1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol
CID 60910178
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine (CID 81400852) is 2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine is CCOC(CN[C@@H](C)c1ccco1)OCC.
What is the InChIKey of 2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine?
The InChIKey is FVVAMVQCTNKMHH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-14-12(15-5-2)9-13-10(3)11-7-6-8-16-11/h6-8,10,12-13H,4-5,9H2,1-3H3/t10-/m0/s1.
What are the key properties of 2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine?
2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine has a molecular weight of 227.30 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81400852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).