3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine

C11H17F2NOS — CID 103149318

IUPAC3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine
SMILESCNC(CCOCC(F)F)c1csc(C)c1
InChIInChI=1S/C11H17F2NOS/c1-8-5-9(7-16-8)10(14-2)3-4-15-6-11(12)13/h5,7,10-11,14H,3-4,6H2,1-2H3
InChIKeyGCTYHITXPODLTH-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.99
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine

3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine (PubChem CID 103149318) has the molecular formula C11H17F2NOS and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine
PubChem CID103149318
Molecular FormulaC11H17F2NOS
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine
SMILESCNC(CCOCC(F)F)c1csc(C)c1
InChIInChI=1S/C11H17F2NOS/c1-8-5-9(7-16-8)10(14-2)3-4-15-6-11(12)13/h5,7,10-11,14H,3-4,6H2,1-2H3
InChIKeyGCTYHITXPODLTH-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 103207219
N-methyl-1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanamine
CID 105155405
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
N-methyl-1-(5-methylthiophen-3-yl)octan-1-amine
CID 104991616
3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 103149424
3-(2,2-difluoroethoxy)-N-methyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103149327
1-(cyclopenten-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207512
N-ethyl-3-methoxy-1-(5-methylthiophen-3-yl)propan-1-amine
CID 65104795
N-methyl-1-(5-methylthiophen-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105155581
3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine
CID 103149230
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)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine (CID 103149318) is 3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine is CNC(CCOCC(F)F)c1csc(C)c1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine?
The InChIKey is GCTYHITXPODLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NOS/c1-8-5-9(7-16-8)10(14-2)3-4-15-6-11(12)13/h5,7,10-11,14H,3-4,6H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 2.99, 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)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine is sourced from PubChem (CID 103149318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).