N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine

C14H20F3NO — CID 116715723

IUPACN-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCNC(c1ccc(C(F)(F)F)cc1)C(CC)OC
InChIInChI=1S/C14H20F3NO/c1-4-12(19-3)13(18-5-2)10-6-8-11(9-7-10)14(15,16)17/h6-9,12-13,18H,4-5H2,1-3H3
InChIKeyLBZSHXHKAUTOKP-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.78
Rot. Bonds6

About N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine

N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 116715723) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID116715723
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCNC(c1ccc(C(F)(F)F)cc1)C(CC)OC
InChIInChI=1S/C14H20F3NO/c1-4-12(19-3)13(18-5-2)10-6-8-11(9-7-10)14(15,16)17/h6-9,12-13,18H,4-5H2,1-3H3
InChIKeyLBZSHXHKAUTOKP-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethoxy-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 79492862
1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine
CID 116715912
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 116718838
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 116716969
1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine
CID 79492955
1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616230
N-ethyl-N',N'-dimethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 79092627
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 105000583
2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine
CID 116716895
1-[(2S,3S)-3-methylpentan-2-yl]-4-(trifluoromethyl)benzene
CID 162611871

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine (CID 116715723) is N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine is CCNC(c1ccc(C(F)(F)F)cc1)C(CC)OC.
What is the InChIKey of N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is LBZSHXHKAUTOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-4-12(19-3)13(18-5-2)10-6-8-11(9-7-10)14(15,16)17/h6-9,12-13,18H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine?
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 116715723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).