(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine

C13H17F4NO — CID 171216263

IUPAC(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine
SMILESCC(C)CC[C@@H](N)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C13H17F4NO/c1-8(2)3-6-12(18)10-7-9(4-5-11(10)14)19-13(15,16)17/h4-5,7-8,12H,3,6,18H2,1-2H3/t12-/m1/s1
InChIKeyWDZKJOHBOUZYKZ-GFCCVEGCSA-N
MW279.28 g/mol
LogP4.16
Rot. Bonds5

About (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine

(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine (PubChem CID 171216263) has the molecular formula C13H17F4NO and a molecular weight of 279.28 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine
PubChem CID171216263
Molecular FormulaC13H17F4NO
Molecular Weight279.28 g/mol
Exact Mass279.12
IUPAC Name(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine
SMILESCC(C)CC[C@@H](N)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C13H17F4NO/c1-8(2)3-6-12(18)10-7-9(4-5-11(10)14)19-13(15,16)17/h4-5,7-8,12H,3,6,18H2,1-2H3/t12-/m1/s1
InChIKeyWDZKJOHBOUZYKZ-GFCCVEGCSA-N
XLogP4.16
TPSA35.25 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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 171216217
(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-amine
CID 171235861
2-[(1R)-1-amino-4-methylpentyl]-4-(trifluoromethoxy)phenol
CID 171210157
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 171216239
(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171229157
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]but-3-en-1-amine;hydrochloride
CID 171216230
(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 94895047
(1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171271754
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 171251766
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251779
(1S)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171251769
2-(1-amino-3-methylbutyl)-4-(trifluoromethoxy)aniline
CID 83988086

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine?
The IUPAC name of (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine (CID 171216263) is (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine.
What is the SMILES notation for (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine?
The canonical SMILES for (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine is CC(C)CC[C@@H](N)c1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine?
The InChIKey is WDZKJOHBOUZYKZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17F4NO/c1-8(2)3-6-12(18)10-7-9(4-5-11(10)14)19-13(15,16)17/h4-5,7-8,12H,3,6,18H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine?
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine has a molecular weight of 279.28 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine is sourced from PubChem (CID 171216263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).