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

C13H18F3NO — CID 64541975

IUPAC3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine
SMILESCCOC(C)C(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-3-18-9(2)12(17)8-10-4-6-11(7-5-10)13(14,15)16/h4-7,9,12H,3,8,17H2,1-2H3
InChIKeyYIEXBKBZKYOIFA-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.00
Rot. Bonds5

About 3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine

3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine (PubChem CID 64541975) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine
PubChem CID64541975
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine
SMILESCCOC(C)C(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c1-3-18-9(2)12(17)8-10-4-6-11(7-5-10)13(14,15)16/h4-7,9,12H,3,8,17H2,1-2H3
InChIKeyYIEXBKBZKYOIFA-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
3-ethoxy-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid
CID 103973539
1-[4-(trifluoromethyl)phenyl]decan-2-amine
CID 65426535
dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane
CID 87141209
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330
1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol
CID 64541572
N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119495884
(2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine
CID 146224491
1-(3-bromophenyl)-3-ethoxybutan-2-amine
CID 64540486
ethyl 2-chloro-3-[4-(trifluoromethyl)phenyl]propanoate
CID 83194781
1-(2-methyltellanylpropyl)-4-(trifluoromethyl)benzene
CID 23075300
methyl 2-amino-5-methyl-6-[4-(trifluoromethyl)phenyl]hexanoate
CID 174512917

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine?
The IUPAC name of 3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine (CID 64541975) is 3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine.
What is the SMILES notation for 3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine?
The canonical SMILES for 3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine is CCOC(C)C(N)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine?
The InChIKey is YIEXBKBZKYOIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-18-9(2)12(17)8-10-4-6-11(7-5-10)13(14,15)16/h4-7,9,12H,3,8,17H2,1-2H3.
What are the key properties of 3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine?
3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine has a molecular weight of 261.29 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine is sourced from PubChem (CID 64541975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).