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

C14H20F3NO — CID 117241683

IUPAC4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
SMILESCC(C)(C)CC(N)COc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-13(2,3)8-10(18)9-19-12-7-5-4-6-11(12)14(15,16)17/h4-7,10H,8-9,18H2,1-3H3
InChIKeyOOICOUKGJPRTTE-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.85
Rot. Bonds4

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

4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine (PubChem CID 117241683) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
PubChem CID117241683
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
SMILESCC(C)(C)CC(N)COc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-13(2,3)8-10(18)9-19-12-7-5-4-6-11(12)14(15,16)17/h4-7,10H,8-9,18H2,1-3H3
InChIKeyOOICOUKGJPRTTE-UHFFFAOYSA-N
XLogP3.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241681
1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine
CID 117241707
2-(2-amino-4,4-dimethylpentoxy)phenol
CID 117241706
4-methoxy-1-[2-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236717
4,4-dimethyl-1-[4-quinolin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 142797261
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
1-(3-chlorophenyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 117242628
N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 62043196
2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine
CID 117241572
(2S)-2-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119741458

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine?
The IUPAC name of 4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine (CID 117241683) is 4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine.
What is the SMILES notation for 4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine?
The canonical SMILES for 4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine is CC(C)(C)CC(N)COc1ccccc1C(F)(F)F.
What is the InChIKey of 4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine?
The InChIKey is OOICOUKGJPRTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-13(2,3)8-10(18)9-19-12-7-5-4-6-11(12)14(15,16)17/h4-7,10H,8-9,18H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine?
4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine is sourced from PubChem (CID 117241683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).