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

C15H22F3NO — CID 116716969

IUPAC2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCNC(c1cccc(C(F)(F)F)c1)C(CC)OCC
InChIInChI=1S/C15H22F3NO/c1-4-13(20-6-3)14(19-5-2)11-8-7-9-12(10-11)15(16,17)18/h7-10,13-14,19H,4-6H2,1-3H3
InChIKeyNITCFMXHFJZQKJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.17
Rot. Bonds7

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

2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 116716969) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID116716969
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCNC(c1cccc(C(F)(F)F)c1)C(CC)OCC
InChIInChI=1S/C15H22F3NO/c1-4-13(20-6-3)14(19-5-2)11-8-7-9-12(10-11)15(16,17)18/h7-10,13-14,19H,4-6H2,1-3H3
InChIKeyNITCFMXHFJZQKJ-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 64535416
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 82920537
N-ethyl-2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64633057
4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141419
2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 53276238
N-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 116715723
N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 105141438
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116717137
N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64652363
N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789684

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine (CID 116716969) is 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine is CCNC(c1cccc(C(F)(F)F)c1)C(CC)OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is NITCFMXHFJZQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-4-13(20-6-3)14(19-5-2)11-8-7-9-12(10-11)15(16,17)18/h7-10,13-14,19H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine?
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine is sourced from PubChem (CID 116716969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).