1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine

C13H19F2NO2 — CID 105008492

IUPAC1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H19F2NO2/c1-3-7-17-9-12(16-2)10-5-4-6-11(8-10)18-13(14)15/h4-6,8,12-13,16H,3,7,9H2,1-2H3
InChIKeyGHINLBZWKOVTGX-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.98
Rot. Bonds8

About 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine

1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine (PubChem CID 105008492) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine
PubChem CID105008492
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H19F2NO2/c1-3-7-17-9-12(16-2)10-5-4-6-11(8-10)18-13(14)15/h4-6,8,12-13,16H,3,7,9H2,1-2H3
InChIKeyGHINLBZWKOVTGX-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.98
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

N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine
CID 105008491
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
1-(3-iodophenyl)-N-methyl-2-propoxyethanamine
CID 105008577
1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
CID 115835552
N-methyl-1-naphthalen-2-yl-2-(2-propoxyethoxy)ethanamine
CID 63685085
1-[3-(difluoromethoxy)phenyl]-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018727
3-(2,2-difluoroethoxy)-N-methyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103149327
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)-N-methylethanamine
CID 82004737
1-[3-(difluoromethoxy)phenyl]-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064898
2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61065024
[1-(3-methoxyphenyl)-2-propoxyethyl]hydrazine
CID 105191587
1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine (CID 105008492) is 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine is CCCOCC(NC)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine?
The InChIKey is GHINLBZWKOVTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-3-7-17-9-12(16-2)10-5-4-6-11(8-10)18-13(14)15/h4-6,8,12-13,16H,3,7,9H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine?
1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine has a molecular weight of 259.30 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-methyl-2-propoxyethanamine is sourced from PubChem (CID 105008492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).