2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine

C11H19NO3 — CID 60815401

IUPAC2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
SMILESCOC(CNC(C)c1ccc(C)o1)OC
InChIInChI=1S/C11H19NO3/c1-8-5-6-10(15-8)9(2)12-7-11(13-3)14-4/h5-6,9,11-12H,7H2,1-4H3
InChIKeyHCHREQXCFNQGSK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.86
Rot. Bonds6

About 2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine

2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine (PubChem CID 60815401) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
PubChem CID60815401
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
SMILESCOC(CNC(C)c1ccc(C)o1)OC
InChIInChI=1S/C11H19NO3/c1-8-5-6-10(15-8)9(2)12-7-11(13-3)14-4/h5-6,9,11-12H,7H2,1-4H3
InChIKeyHCHREQXCFNQGSK-UHFFFAOYSA-N
XLogP1.86
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]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

(2R)-1-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 103906700
(2R)-1-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]propan-2-ol
CID 93082108
2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pentan-1-amine
CID 43684897
4-methyl-1-[1-(5-methylfuran-2-yl)ethylamino]pentan-2-ol
CID 115714813
1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylfuran-2-yl)ethylamino]propan-2-ol
CID 106989546
2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine
CID 115714157
N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43298426
3,3-diethoxy-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 81093076
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-en-1-amine
CID 43177065
N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222058
N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43201795
N-(2-ethoxyethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43403764

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine?
The IUPAC name of 2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine (CID 60815401) is 2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine is COC(CNC(C)c1ccc(C)o1)OC.
What is the InChIKey of 2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine?
The InChIKey is HCHREQXCFNQGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-5-6-10(15-8)9(2)12-7-11(13-3)14-4/h5-6,9,11-12H,7H2,1-4H3.
What are the key properties of 2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine?
2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine has a molecular weight of 213.28 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine is sourced from PubChem (CID 60815401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).