1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C14H20F3NO3 — CID 103148227

IUPAC1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)c1c(OC)cccc1OC
InChIInChI=1S/C14H20F3NO3/c1-18-10(7-8-21-9-14(15,16)17)13-11(19-2)5-4-6-12(13)20-3/h4-6,10,18H,7-9H2,1-3H3
InChIKeyAEHBIXCTAZHIOD-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.93
Rot. Bonds8

About 1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148227) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148227
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCNC(CCOCC(F)(F)F)c1c(OC)cccc1OC
InChIInChI=1S/C14H20F3NO3/c1-18-10(7-8-21-9-14(15,16)17)13-11(19-2)5-4-6-12(13)20-3/h4-6,10,18H,7-9H2,1-3H3
InChIKeyAEHBIXCTAZHIOD-UHFFFAOYSA-N
XLogP2.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105188714
1-(2-fluoro-3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148107
1-[5-(methoxymethyl)furan-2-yl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207957
1-(2,6-dimethoxyphenyl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029479
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207182
1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215329
N-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 61491100
N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492192
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103216137
1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 116810349
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066484
(1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 171201179

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148227) is 1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CNC(CCOCC(F)(F)F)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is AEHBIXCTAZHIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c1-18-10(7-8-21-9-14(15,16)17)13-11(19-2)5-4-6-12(13)20-3/h4-6,10,18H,7-9H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 307.31 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).