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

C14H20F3NO — CID 64535416

IUPAC2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCNC(c1cccc(C(F)(F)F)c1)C(C)OCC
InChIInChI=1S/C14H20F3NO/c1-4-18-13(10(3)19-5-2)11-7-6-8-12(9-11)14(15,16)17/h6-10,13,18H,4-5H2,1-3H3
InChIKeyOQQPBGGSUJJYFX-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.78
Rot. Bonds6

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

2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 64535416) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID64535416
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCNC(c1cccc(C(F)(F)F)c1)C(C)OCC
InChIInChI=1S/C14H20F3NO/c1-4-18-13(10(3)19-5-2)11-7-6-8-12(9-11)14(15,16)17/h6-10,13,18H,4-5H2,1-3H3
InChIKeyOQQPBGGSUJJYFX-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

2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 116716969
N-ethyl-2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64633057
N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 105141438
4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141419
2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 53276238
1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64532795
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64535611
3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112688216
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 82920537
N-ethyl-2-(3-methylbutylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 107764275

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 64535416) is 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine is CCNC(c1cccc(C(F)(F)F)c1)C(C)OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is OQQPBGGSUJJYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-4-18-13(10(3)19-5-2)11-7-6-8-12(9-11)14(15,16)17/h6-10,13,18H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-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 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 64535416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).