N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine

C13H17F4NO — CID 115748379

IUPACN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(C)NCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H17F4NO/c1-12(2,8-19-3)18-7-9-4-10(13(15,16)17)6-11(14)5-9/h4-6,18H,7-8H2,1-3H3
InChIKeyLLYNRLMQMSSHIH-UHFFFAOYSA-N
MW279.28 g/mol
LogP3.36
Rot. Bonds5

About N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine (PubChem CID 115748379) has the molecular formula C13H17F4NO and a molecular weight of 279.28 g/mol. Its IUPAC name is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine
PubChem CID115748379
Molecular FormulaC13H17F4NO
Molecular Weight279.28 g/mol
Exact Mass279.12
IUPAC NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(C)NCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H17F4NO/c1-12(2,8-19-3)18-7-9-4-10(13(15,16)17)6-11(14)5-9/h4-6,18H,7-8H2,1-3H3
InChIKeyLLYNRLMQMSSHIH-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol
CID 115282873
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
methyl 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanoate
CID 115350555
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83306725
N-[(2,5-difluorophenyl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115608052
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol
CID 91657147
2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline
CID 115350292
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,4-dimethylaniline
CID 115350196
1-methoxy-2-methyl-N-(pyrimidin-5-ylmethyl)propan-2-amine
CID 115608009
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115350279
3-butoxy-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115748160
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
CID 115350267

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine?
The IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine (CID 115748379) is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine is COCC(C)(C)NCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine?
The InChIKey is LLYNRLMQMSSHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO/c1-12(2,8-19-3)18-7-9-4-10(13(15,16)17)6-11(14)5-9/h4-6,18H,7-8H2,1-3H3.
What are the key properties of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine?
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine has a molecular weight of 279.28 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-methoxy-2-methylpropan-2-amine is sourced from PubChem (CID 115748379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).