4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine

C15H22F3NO — CID 83921157

IUPAC4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine
SMILESCCOc1ccc(C(F)(F)F)cc1C(CC)CCCN
InChIInChI=1S/C15H22F3NO/c1-3-11(6-5-9-19)13-10-12(15(16,17)18)7-8-14(13)20-4-2/h7-8,10-11H,3-6,9,19H2,1-2H3
InChIKeyRXMNAOZEZHWVLM-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.34
Rot. Bonds7

About 4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine

4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine (PubChem CID 83921157) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine.

Molecular Properties

Compound Name4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine
PubChem CID83921157
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine
SMILESCCOc1ccc(C(F)(F)F)cc1C(CC)CCCN
InChIInChI=1S/C15H22F3NO/c1-3-11(6-5-9-19)13-10-12(15(16,17)18)7-8-14(13)20-4-2/h7-8,10-11H,3-6,9,19H2,1-2H3
InChIKeyRXMNAOZEZHWVLM-UHFFFAOYSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-2-ethoxyphenyl)hexan-1-amine
CID 83933222
1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 82262869
4-(4,5-diethoxy-2-fluorophenyl)hexan-1-amine
CID 83923062
2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]butyl]-3-ethyloxirane
CID 83921243
4-(4-ethoxy-2,3-dimethylphenyl)hexan-1-amine
CID 83939793
4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine
CID 83921087
4-(3,4-diethoxyphenyl)heptan-1-amine
CID 83923533
2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine
CID 135380765
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171209518
2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 68775083
2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol
CID 83921180
2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol
CID 83921250

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine?
The IUPAC name of 4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine (CID 83921157) is 4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine.
What is the SMILES notation for 4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine?
The canonical SMILES for 4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine is CCOc1ccc(C(F)(F)F)cc1C(CC)CCCN.
What is the InChIKey of 4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine?
The InChIKey is RXMNAOZEZHWVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-3-11(6-5-9-19)13-10-12(15(16,17)18)7-8-14(13)20-4-2/h7-8,10-11H,3-6,9,19H2,1-2H3.
What are the key properties of 4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine?
4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine is sourced from PubChem (CID 83921157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).