3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine

C14H19F4N — CID 82923278

IUPAC3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCCC(CC)CC(N)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C14H19F4N/c1-3-9(4-2)7-13(19)11-8-10(15)5-6-12(11)14(16,17)18/h5-6,8-9,13H,3-4,7,19H2,1-2H3
InChIKeyKZQZUTNXBDGQFU-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.67
Rot. Bonds5

About 3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine

3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine (PubChem CID 82923278) has the molecular formula C14H19F4N and a molecular weight of 277.31 g/mol. Its IUPAC name is 3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine
PubChem CID82923278
Molecular FormulaC14H19F4N
Molecular Weight277.31 g/mol
Exact Mass277.15
IUPAC Name3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCCC(CC)CC(N)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C14H19F4N/c1-3-9(4-2)7-13(19)11-8-10(15)5-6-12(11)14(16,17)18/h5-6,8-9,13H,3-4,7,19H2,1-2H3
InChIKeyKZQZUTNXBDGQFU-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313161
(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021281
1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79016521
1-(2,5-difluorophenyl)-3-ethylpentan-1-amine
CID 82922237
(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171228674
(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171228670
(1R)-2-cyclopropyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 171209096
methyl (3R)-3-amino-3-[5-fluoro-2-(trifluoromethyl)phenyl]propanoate
CID 171249410
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131252530
(1S,2R)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131490477
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171263834
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021125

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine?
The IUPAC name of 3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine (CID 82923278) is 3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine.
What is the SMILES notation for 3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine?
The canonical SMILES for 3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine is CCC(CC)CC(N)c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of 3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine?
The InChIKey is KZQZUTNXBDGQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N/c1-3-9(4-2)7-13(19)11-8-10(15)5-6-12(11)14(16,17)18/h5-6,8-9,13H,3-4,7,19H2,1-2H3.
What are the key properties of 3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine?
3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine has a molecular weight of 277.31 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine is sourced from PubChem (CID 82923278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).