4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine

C13H18F3NO — CID 117241681

IUPAC4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
SMILESCC(C)CC(N)COc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-9(2)7-10(17)8-18-12-6-4-3-5-11(12)13(14,15)16/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyRJSUPORAJNQNPW-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.46
Rot. Bonds5

About 4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine

4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine (PubChem CID 117241681) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
PubChem CID117241681
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
SMILESCC(C)CC(N)COc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-9(2)7-10(17)8-18-12-6-4-3-5-11(12)13(14,15)16/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyRJSUPORAJNQNPW-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241683
4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236717
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 117242628
2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine
CID 117241572
N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 62043196
1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine
CID 77492759
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine
CID 107506501
1-(1-ethylpyrrolidin-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 117237301

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine?
The IUPAC name of 4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine (CID 117241681) is 4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine.
What is the SMILES notation for 4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine?
The canonical SMILES for 4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine is CC(C)CC(N)COc1ccccc1C(F)(F)F.
What is the InChIKey of 4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine?
The InChIKey is RJSUPORAJNQNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-9(2)7-10(17)8-18-12-6-4-3-5-11(12)13(14,15)16/h3-6,9-10H,7-8,17H2,1-2H3.
What are the key properties of 4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine?
4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine has a molecular weight of 261.29 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine is sourced from PubChem (CID 117241681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).