N-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine

C15H20F3NO2 — CID 79370079

IUPACN-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCOC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-2-8-19-10-11-7-9-20-14(11)12-5-3-4-6-13(12)21-15(16,17)18/h3-6,11,14,19H,2,7-10H2,1H3
InChIKeyHWRQBTZPBWAYIA-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.66
Rot. Bonds6

About N-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine

N-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 79370079) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID79370079
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC NameN-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCOC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-2-8-19-10-11-7-9-20-14(11)12-5-3-4-6-13(12)21-15(16,17)18/h3-6,11,14,19H,2,7-10H2,1H3
InChIKeyHWRQBTZPBWAYIA-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.66
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-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79368626
N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79368361
N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79978075
N-[[2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]methyl]propan-1-amine
CID 83095108
N-[[2-(4-bromophenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79367591
N-[[2-(3,5-difluorophenyl)oxolan-3-yl]methyl]propan-1-amine
CID 106534593
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 79367501
N-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine
CID 79368429
N-[[2-(2-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365257
N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 115530338
N-[(2-pyrimidin-4-yloxolan-3-yl)methyl]propan-1-amine
CID 79368820
(2R)-2-[2-(trifluoromethoxy)phenyl]oxirane
CID 83128862

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine (CID 79370079) is N-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine is CCCNCC1CCOC1c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is HWRQBTZPBWAYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-2-8-19-10-11-7-9-20-14(11)12-5-3-4-6-13(12)21-15(16,17)18/h3-6,11,14,19H,2,7-10H2,1H3.
What are the key properties of N-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine?
N-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 303.32 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 79370079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).