N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine

C16H22F3N — CID 105024327

IUPACN-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)C1CC1c1ccccc1
InChIInChI=1S/C16H22F3N/c1-2-20-15(9-6-10-16(17,18)19)14-11-13(14)12-7-4-3-5-8-12/h3-5,7-8,13-15,20H,2,6,9-11H2,1H3
InChIKeyIVUPTSBPAJJJKI-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.50
Rot. Bonds7

About N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine

N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine (PubChem CID 105024327) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine
PubChem CID105024327
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)C1CC1c1ccccc1
InChIInChI=1S/C16H22F3N/c1-2-20-15(9-6-10-16(17,18)19)14-11-13(14)12-7-4-3-5-8-12/h3-5,7-8,13-15,20H,2,6,9-11H2,1H3
InChIKeyIVUPTSBPAJJJKI-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517759
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
1-(2-phenylcyclopropyl)-N-propyloctan-1-amine
CID 115832271
N-ethyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517454
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine
CID 105188962
2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
CID 105052609
N-ethyl-1-(2-phenylcyclopropyl)-3-pyridin-3-ylpropan-1-amine
CID 105189087
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
CID 115841868
N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216465
N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine
CID 105174493
2-cyclopropyl-N-ethyl-1-(2-phenylcyclopropyl)propan-1-amine
CID 105052535

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine (CID 105024327) is N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine is CCNC(CCCC(F)(F)F)C1CC1c1ccccc1.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine?
The InChIKey is IVUPTSBPAJJJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-2-20-15(9-6-10-16(17,18)19)14-11-13(14)12-7-4-3-5-8-12/h3-5,7-8,13-15,20H,2,6,9-11H2,1H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine?
N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine is sourced from PubChem (CID 105024327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).