1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine

C14H19F4NO — CID 107289412

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H19F4NO/c1-5-13(2,20-4)12(19-3)9-6-7-10(11(15)8-9)14(16,17)18/h6-8,12,19H,5H2,1-4H3
InChIKeyDREGRJNYINJVOK-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.92
Rot. Bonds5

About 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine

1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine (PubChem CID 107289412) has the molecular formula C14H19F4NO and a molecular weight of 293.30 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine
PubChem CID107289412
Molecular FormulaC14H19F4NO
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H19F4NO/c1-5-13(2,20-4)12(19-3)9-6-7-10(11(15)8-9)14(16,17)18/h6-8,12,19H,5H2,1-4H3
InChIKeyDREGRJNYINJVOK-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757755
2,2-diethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107289129
4-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylbutan-1-amine
CID 107291657
1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757600
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine
CID 107289370
4-butan-2-yl-2-fluoro-1-(trifluoromethyl)benzene
CID 90930797
1-(4-cyclobutylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757700
[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 107292535
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine
CID 118021265
2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol
CID 107288640
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197559
[1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine
CID 105274485

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine (CID 107289412) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine is CCC(C)(OC)C(NC)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine?
The InChIKey is DREGRJNYINJVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO/c1-5-13(2,20-4)12(19-3)9-6-7-10(11(15)8-9)14(16,17)18/h6-8,12,19H,5H2,1-4H3.
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine?
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine has a molecular weight of 293.30 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 107289412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).