N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine

C15H20F3N — CID 116517759

IUPACN-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CC1c1ccccc1
InChIInChI=1S/C15H20F3N/c1-2-19-14(8-9-15(16,17)18)13-10-12(13)11-6-4-3-5-7-11/h3-7,12-14,19H,2,8-10H2,1H3
InChIKeyZWQABQWSGPEJMI-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.11
Rot. Bonds6

About N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine (PubChem CID 116517759) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine
PubChem CID116517759
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CC1c1ccccc1
InChIInChI=1S/C15H20F3N/c1-2-19-14(8-9-15(16,17)18)13-10-12(13)11-6-4-3-5-7-11/h3-7,12-14,19H,2,8-10H2,1H3
InChIKeyZWQABQWSGPEJMI-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine
CID 105024327
N-ethyl-3,3,3-trifluoro-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517402
N-ethyl-1-(2-phenylcyclopropyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148555
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine
CID 105188962
N-ethyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517454
2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
CID 105052609
N-ethyl-1-(2-phenylcyclopropyl)-3-pyridin-3-ylpropan-1-amine
CID 105189087
1-(2-phenylcyclopropyl)-N-propyloctan-1-amine
CID 115832271
N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216465
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
CID 115841868
2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine
CID 105052535
N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517740

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine (CID 116517759) is N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine is CCNC(CCC(F)(F)F)C1CC1c1ccccc1.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine?
The InChIKey is ZWQABQWSGPEJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-2-19-14(8-9-15(16,17)18)13-10-12(13)11-6-4-3-5-7-11/h3-7,12-14,19H,2,8-10H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine is sourced from PubChem (CID 116517759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).