3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine

C14H21F2NO2 — CID 103149230

IUPAC3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1ccc(OC)cc1C
InChIInChI=1S/C14H21F2NO2/c1-10-8-11(18-3)4-5-12(10)13(17-2)6-7-19-9-14(15)16/h4-5,8,13-14,17H,6-7,9H2,1-3H3
InChIKeyDYUIUTPKYJFMDT-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.94
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine

3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine (PubChem CID 103149230) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine
PubChem CID103149230
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1ccc(OC)cc1C
InChIInChI=1S/C14H21F2NO2/c1-10-8-11(18-3)4-5-12(10)13(17-2)6-7-19-9-14(15)16/h4-5,8,13-14,17H,6-7,9H2,1-3H3
InChIKeyDYUIUTPKYJFMDT-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.94
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)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 103149424
3-(2-methoxyethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine
CID 102928240
3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 103148893
[3-(2-methoxyethoxy)-1-(4-methoxy-2-methylphenyl)propyl]hydrazine
CID 102930044
3-(2,2-difluoroethoxy)-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 103207219
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 103149759
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine
CID 65313666
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482745
2-fluoro-2-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 105426266
2-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-N-methylethanamine
CID 82004349
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)-N-methylethanamine
CID 82004737
1-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 43482663

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine (CID 103149230) is 3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine is CNC(CCOCC(F)F)c1ccc(OC)cc1C.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine?
The InChIKey is DYUIUTPKYJFMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-10-8-11(18-3)4-5-12(10)13(17-2)6-7-19-9-14(15)16/h4-5,8,13-14,17H,6-7,9H2,1-3H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine?
3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine has a molecular weight of 273.32 g/mol, XLogP of 2.94, 8 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-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 103149230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).