N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine

C14H18F3NO — CID 103302939

IUPACN-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)c(F)cc1F)C1CCCO1
InChIInChI=1S/C14H18F3NO/c1-2-5-18-14(13-4-3-6-19-13)9-7-11(16)12(17)8-10(9)15/h7-8,13-14,18H,2-6H2,1H3
InChIKeyQNPUGJUTVLXNEJ-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.32
Rot. Bonds5

About N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine

N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine (PubChem CID 103302939) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine
PubChem CID103302939
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)c(F)cc1F)C1CCCO1
InChIInChI=1S/C14H18F3NO/c1-2-5-18-14(13-4-3-6-19-13)9-7-11(16)12(17)8-10(9)15/h7-8,13-14,18H,2-6H2,1H3
InChIKeyQNPUGJUTVLXNEJ-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluoro-4,5-dimethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 62867456
N-methyl-1-(oxolan-2-yl)-1-(2,4,5-trifluorophenyl)methanamine
CID 103302330
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
N-[(2-methylcyclopentyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 107178295
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 106878787
N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43494552
N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328698
N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43495188
N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65328590
N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328877

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine (CID 103302939) is N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine is CCCNC(c1cc(F)c(F)cc1F)C1CCCO1.
What is the InChIKey of N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine?
The InChIKey is QNPUGJUTVLXNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-2-5-18-14(13-4-3-6-19-13)9-7-11(16)12(17)8-10(9)15/h7-8,13-14,18H,2-6H2,1H3.
What are the key properties of N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine?
N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine has a molecular weight of 273.30 g/mol, XLogP of 3.32, 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-(2,4,5-trifluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 103302939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).