N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine

C15H26F3NO2 — CID 104509767

IUPACN-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCCOCC(F)(F)F)CCOC1C1CC1
InChIInChI=1S/C15H26F3NO2/c1-2-19-10-14(6-3-8-20-11-15(16,17)18)7-9-21-13(14)12-4-5-12/h12-13,19H,2-11H2,1H3
InChIKeyIUDNKRIPNYCSQF-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.14
Rot. Bonds9

About N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine

N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 104509767) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine
PubChem CID104509767
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC NameN-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCCOCC(F)(F)F)CCOC1C1CC1
InChIInChI=1S/C15H26F3NO2/c1-2-19-10-14(6-3-8-20-11-15(16,17)18)7-9-21-13(14)12-4-5-12/h12-13,19H,2-11H2,1H3
InChIKeyIUDNKRIPNYCSQF-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-cyclopropyl-3-(3-ethoxypropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 104510013
N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 106706218
3-(chloromethyl)-2-cyclopropyl-3-(3-ethoxypropyl)oxolane
CID 104510552
2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 104510321
N-[[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 113420877
N-[[2-cyclopropyl-3-[(2,5-difluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 104509713
N-[[2-cyclopropyl-3-(2-thiophen-3-ylethyl)oxolan-3-yl]methyl]ethanamine
CID 104509696
N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 103014837
N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine
CID 104509877
N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine
CID 104509700
N-[[2-cyclopropyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 104510106
[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine
CID 104509396

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine (CID 104509767) is N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CCCOCC(F)(F)F)CCOC1C1CC1.
What is the InChIKey of N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is IUDNKRIPNYCSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c1-2-19-10-14(6-3-8-20-11-15(16,17)18)7-9-21-13(14)12-4-5-12/h12-13,19H,2-11H2,1H3.
What are the key properties of N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine?
N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 309.37 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 104509767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).