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

C14H21F2NO — CID 103149424

IUPAC3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1ccc(C)cc1C
InChIInChI=1S/C14H21F2NO/c1-10-4-5-12(11(2)8-10)13(17-3)6-7-18-9-14(15)16/h4-5,8,13-14,17H,6-7,9H2,1-3H3
InChIKeyWGIXAUIDVORTTH-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.24
Rot. Bonds7

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

3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine (PubChem CID 103149424) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
PubChem CID103149424
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1ccc(C)cc1C
InChIInChI=1S/C14H21F2NO/c1-10-4-5-12(11(2)8-10)13(17-3)6-7-18-9-14(15)16/h4-5,8,13-14,17H,6-7,9H2,1-3H3
InChIKeyWGIXAUIDVORTTH-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine
CID 103149230
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
1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
CID 105120142
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807
methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate
CID 116955511
3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 43482676
3-(2,2-difluoroethoxy)-N-methyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 103149318
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine
CID 63475815
N-[1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethyl]propan-1-amine
CID 63474013
3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine
CID 103149216
3-(2,2-difluoroethoxy)-1-(furan-2-yl)-N-methylpropan-1-amine
CID 103149434

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine (CID 103149424) is 3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine is CNC(CCOCC(F)F)c1ccc(C)cc1C.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine?
The InChIKey is WGIXAUIDVORTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-10-4-5-12(11(2)8-10)13(17-3)6-7-18-9-14(15)16/h4-5,8,13-14,17H,6-7,9H2,1-3H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine?
3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 103149424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).