N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine

C15H20F3NO — CID 65328590

IUPACN-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(F)(F)F)cc1)C1CCCO1
InChIInChI=1S/C15H20F3NO/c1-2-9-19-14(13-4-3-10-20-13)11-5-7-12(8-6-11)15(16,17)18/h5-8,13-14,19H,2-4,9-10H2,1H3
InChIKeyLNVNQWCMWBMCKK-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.93
Rot. Bonds5

About N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine

N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 65328590) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID65328590
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC NameN-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(F)(F)F)cc1)C1CCCO1
InChIInChI=1S/C15H20F3NO/c1-2-9-19-14(13-4-3-10-20-13)11-5-7-12(8-6-11)15(16,17)18/h5-8,13-14,19H,2-4,9-10H2,1H3
InChIKeyLNVNQWCMWBMCKK-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43494552
N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 116506194
N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43495188
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine
CID 43495861
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
N-[thian-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 80626465
N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328877
N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302939
N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 65328700
N-[1-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)aniline
CID 62646141
N-methyl-2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62791871

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 65328590) is N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine is CCCNC(c1ccc(C(F)(F)F)cc1)C1CCCO1.
What is the InChIKey of N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is LNVNQWCMWBMCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-2-9-19-14(13-4-3-10-20-13)11-5-7-12(8-6-11)15(16,17)18/h5-8,13-14,19H,2-4,9-10H2,1H3.
What are the key properties of N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine?
N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 287.32 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 65328590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).