1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine

C16H24F3NO — CID 116773836

IUPAC1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)C(OCC)c1ccccc1
InChIInChI=1S/C16H24F3NO/c1-3-12-20-14(10-11-16(17,18)19)15(21-4-2)13-8-6-5-7-9-13/h5-9,14-15,20H,3-4,10-12H2,1-2H3
InChIKeyMJOCMBASAUOMFX-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.47
Rot. Bonds9

About 1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine

1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine (PubChem CID 116773836) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine
PubChem CID116773836
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)C(OCC)c1ccccc1
InChIInChI=1S/C16H24F3NO/c1-3-12-20-14(10-11-16(17,18)19)15(21-4-2)13-8-6-5-7-9-13/h5-9,14-15,20H,3-4,10-12H2,1-2H3
InChIKeyMJOCMBASAUOMFX-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine
CID 116773842
1-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-2-amine
CID 116773735
1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine
CID 103031290
1-ethoxy-N-ethyl-1-phenylheptan-2-amine
CID 116773710
1-ethoxy-1-phenyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 116773875
7,7-dimethyl-3-phenyl-N-propyloctan-4-amine
CID 115849907
1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine
CID 116773236
ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
CID 113245783
N-(2-ethoxy-2-phenyl-1-pyridin-3-ylethyl)propan-1-amine
CID 116773849
3-ethoxy-8,8,8-trifluoro-2,2-dimethyl-N-propyloctan-4-amine
CID 116726022
6,6,6-trifluoro-1-phenoxy-N-propylhexan-3-amine
CID 64568024
1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 116773230

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine?
The IUPAC name of 1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine (CID 116773836) is 1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine?
The canonical SMILES for 1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)C(OCC)c1ccccc1.
What is the InChIKey of 1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine?
The InChIKey is MJOCMBASAUOMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-3-12-20-14(10-11-16(17,18)19)15(21-4-2)13-8-6-5-7-9-13/h5-9,14-15,20H,3-4,10-12H2,1-2H3.
What are the key properties of 1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine?
1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine has a molecular weight of 303.37 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine is sourced from PubChem (CID 116773836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).