3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine

C10H15F2NO2 — CID 103149434

IUPAC3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1ccco1
InChIInChI=1S/C10H15F2NO2/c1-13-8(9-3-2-5-15-9)4-6-14-7-10(11)12/h2-3,5,8,10,13H,4,6-7H2,1H3
InChIKeyCOEHDBTUVRTSFT-UHFFFAOYSA-N
MW219.23 g/mol
LogP2.21
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine

3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine (PubChem CID 103149434) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine
PubChem CID103149434
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1ccco1
InChIInChI=1S/C10H15F2NO2/c1-13-8(9-3-2-5-15-9)4-6-14-7-10(11)12/h2-3,5,8,10,13H,4,6-7H2,1H3
InChIKeyCOEHDBTUVRTSFT-UHFFFAOYSA-N
XLogP2.21
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine 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

1-(furan-2-yl)-N-methyl-3-propan-2-yloxypropan-1-amine
CID 114997379
3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine
CID 103149216
3-(2,2-difluoroethoxy)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 103149460
1-(furan-2-yl)-N,4,4-trimethylpentan-1-amine
CID 62717492
3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 103207219
3-(2,2-difluoroethoxy)-N-methyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103149327
3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 103149424
N-ethyl-1-(furan-2-yl)-3-(3-methylbutoxy)propan-1-amine
CID 115002660
1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207512
3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine
CID 103149230
3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 103149318
1-(3-cyclobutylphenyl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103149403

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine (CID 103149434) is 3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine is CNC(CCOCC(F)F)c1ccco1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine?
The InChIKey is COEHDBTUVRTSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-13-8(9-3-2-5-15-9)4-6-14-7-10(11)12/h2-3,5,8,10,13H,4,6-7H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine?
3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine has a molecular weight of 219.23 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 103149434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).