N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine

C15H20F3NO2 — CID 115856447

IUPACN-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC(F)(F)F)cc1)C1CCOC1
InChIInChI=1S/C15H20F3NO2/c1-2-8-19-14(12-7-9-20-10-12)11-3-5-13(6-4-11)21-15(16,17)18/h3-6,12,14,19H,2,7-10H2,1H3
InChIKeyQTVBVJILERBMJU-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.66
Rot. Bonds6

About N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine

N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine (PubChem CID 115856447) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
PubChem CID115856447
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC NameN-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC(F)(F)F)cc1)C1CCOC1
InChIInChI=1S/C15H20F3NO2/c1-2-8-19-14(12-7-9-20-10-12)11-3-5-13(6-4-11)21-15(16,17)18/h3-6,12,14,19H,2,7-10H2,1H3
InChIKeyQTVBVJILERBMJU-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

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Related Compounds

N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 62906368
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63893773
N-[(3-methoxy-4-methylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 115856489
N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine
CID 63012897
N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 114981675
N-[1-(oxolan-3-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 115916988
N-[(4-methylsulfanylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107137025
N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
N-[[2-methyl-4-(trifluoromethyl)phenyl]-(oxolan-3-yl)methyl]propan-1-amine
CID 102754281
5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61276462
N-[(2,6-difluoro-3-methylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 82822964

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine (CID 115856447) is N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine is CCCNC(c1ccc(OC(F)(F)F)cc1)C1CCOC1.
What is the InChIKey of N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is QTVBVJILERBMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-2-8-19-14(12-7-9-20-10-12)11-3-5-13(6-4-11)21-15(16,17)18/h3-6,12,14,19H,2,7-10H2,1H3.
What are the key properties of N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
N-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]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-[oxolan-3-yl-[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 115856447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).