3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine

C13H19F2NO2 — CID 103149128

IUPAC3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
SMILESCOc1ccc(C)cc1C(N)CCOCC(F)F
InChIInChI=1S/C13H19F2NO2/c1-9-3-4-12(17-2)10(7-9)11(16)5-6-18-8-13(14)15/h3-4,7,11,13H,5-6,8,16H2,1-2H3
InChIKeyZLGCOCGFXADVNK-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.68
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine

3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine (PubChem CID 103149128) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
PubChem CID103149128
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
SMILESCOc1ccc(C)cc1C(N)CCOCC(F)F
InChIInChI=1S/C13H19F2NO2/c1-9-3-4-12(17-2)10(7-9)11(16)5-6-18-8-13(14)15/h3-4,7,11,13H,5-6,8,16H2,1-2H3
InChIKeyZLGCOCGFXADVNK-UHFFFAOYSA-N
XLogP2.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.68
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

(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
4-amino-4-(2-methoxy-5-methylphenyl)butanenitrile
CID 116939962
1-(2-methoxy-5-methylphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 115941946
2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43127467
2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200551
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 103148893
[4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine
CID 103151784
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200897

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine (CID 103149128) is 3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine is COc1ccc(C)cc1C(N)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine?
The InChIKey is ZLGCOCGFXADVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-9-3-4-12(17-2)10(7-9)11(16)5-6-18-8-13(14)15/h3-4,7,11,13H,5-6,8,16H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine has a molecular weight of 259.30 g/mol, XLogP of 2.68, 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-(2-methoxy-5-methylphenyl)propan-1-amine is sourced from PubChem (CID 103149128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).