1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine

C15H23F2NO2 — CID 102928630

IUPAC1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOCCOC)c1c(F)cccc1F
InChIInChI=1S/C15H23F2NO2/c1-3-8-18-14(7-9-20-11-10-19-2)15-12(16)5-4-6-13(15)17/h4-6,14,18H,3,7-11H2,1-2H3
InChIKeyXIPDVTBVCNWLOH-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.06
Rot. Bonds10

About 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine

1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine (PubChem CID 102928630) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
PubChem CID102928630
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
SMILESCCCNC(CCOCCOC)c1c(F)cccc1F
InChIInChI=1S/C15H23F2NO2/c1-3-8-18-14(7-9-20-11-10-19-2)15-12(16)5-4-6-13(15)17/h4-6,14,18H,3,7-11H2,1-2H3
InChIKeyXIPDVTBVCNWLOH-UHFFFAOYSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-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

3-(2-methoxyethoxy)-N-propyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 102928614
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116810352
1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928611
N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206853
1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517335
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
1-(2-chloro-3-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105054857
N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 63528602
1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 104806958
1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine
CID 79522889
1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105088079
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105175820

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine (CID 102928630) is 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine is CCCNC(CCOCCOC)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
The InChIKey is XIPDVTBVCNWLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-3-8-18-14(7-9-20-11-10-19-2)15-12(16)5-4-6-13(15)17/h4-6,14,18H,3,7-11H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine?
1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 102928630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).