2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine

C13H18F3NO2 — CID 55145902

IUPAC2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine
SMILESCCOC(CN)CCOc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-2-18-10(9-17)7-8-19-12-6-4-3-5-11(12)13(14,15)16/h3-6,10H,2,7-9,17H2,1H3
InChIKeyWOKAZYCBEWHEMU-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.84
Rot. Bonds7

About 2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine

2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine (PubChem CID 55145902) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine
PubChem CID55145902
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine
SMILESCCOC(CN)CCOc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-2-18-10(9-17)7-8-19-12-6-4-3-5-11(12)13(14,15)16/h3-6,10H,2,7-9,17H2,1H3
InChIKeyWOKAZYCBEWHEMU-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-phenoxybutan-1-amine
CID 63070117
4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine
CID 63071046
2-ethoxy-4-quinolin-8-yloxybutan-1-amine
CID 55146476
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
4-(4-chloronaphthalen-1-yl)oxy-2-ethoxybutan-1-amine
CID 63071626
2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine
CID 64854417
2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine
CID 63071638
4-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethoxybutan-1-amine
CID 102714329
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate
CID 43365238
4-(4-chloro-2-methylphenoxy)-2-ethoxybutan-1-amine
CID 55146669
4-(4-chlorophenoxy)-2-ethoxybutan-1-amine
CID 63071445

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine?
The IUPAC name of 2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine (CID 55145902) is 2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine?
The canonical SMILES for 2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine is CCOC(CN)CCOc1ccccc1C(F)(F)F.
What is the InChIKey of 2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine?
The InChIKey is WOKAZYCBEWHEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-2-18-10(9-17)7-8-19-12-6-4-3-5-11(12)13(14,15)16/h3-6,10H,2,7-9,17H2,1H3.
What are the key properties of 2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine?
2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine has a molecular weight of 277.29 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[2-(trifluoromethyl)phenoxy]butan-1-amine is sourced from PubChem (CID 55145902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).