N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine

C14H20F3NO — CID 83046654

IUPACN-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine
SMILESCCCC(CNCC)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-3-7-11(10-18-4-2)19-13-9-6-5-8-12(13)14(15,16)17/h5-6,8-9,11,18H,3-4,7,10H2,1-2H3
InChIKeyPUVGERPAHZLNBT-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.86
Rot. Bonds7

About N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine

N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine (PubChem CID 83046654) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine
PubChem CID83046654
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine
SMILESCCCC(CNCC)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-3-7-11(10-18-4-2)19-13-9-6-5-8-12(13)14(15,16)17/h5-6,8-9,11,18H,3-4,7,10H2,1-2H3
InChIKeyPUVGERPAHZLNBT-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine
CID 11565843
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119507555
N-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 62043196
1-(trifluoromethyl)-2-undecan-2-yloxybenzene
CID 150002093
1-nonan-2-yloxy-2-(trifluoromethyl)benzene
CID 130445178
N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine
CID 19025855
(3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine
CID 11624379
2-(2-fluoro-3-methylphenoxy)-N-propylpentan-1-amine
CID 107661333
(2S)-2-amino-4-methylsulfanyl-N-[2-[2-(trifluoromethyl)phenoxy]butyl]butanamide;hydrochloride
CID 119344754
2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propylpentan-1-amine
CID 102747436
N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
N-methyl-2-(2-methylphenoxy)pentan-1-amine
CID 83045023

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine?
The IUPAC name of N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine (CID 83046654) is N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine.
What is the SMILES notation for N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine?
The canonical SMILES for N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine is CCCC(CNCC)Oc1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine?
The InChIKey is PUVGERPAHZLNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-3-7-11(10-18-4-2)19-13-9-6-5-8-12(13)14(15,16)17/h5-6,8-9,11,18H,3-4,7,10H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine?
N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine is sourced from PubChem (CID 83046654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).