N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine

C14H18F3NO — CID 79368925

IUPACN-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCOC1c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H18F3NO/c1-8(2)18-7-9-3-4-19-14(9)10-5-11(15)13(17)12(16)6-10/h5-6,8-9,14,18H,3-4,7H2,1-2H3
InChIKeyPRLWOKCEJIRQNP-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.18
Rot. Bonds4

About N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine

N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 79368925) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID79368925
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCOC1c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H18F3NO/c1-8(2)18-7-9-3-4-19-14(9)10-5-11(15)13(17)12(16)6-10/h5-6,8-9,14,18H,3-4,7H2,1-2H3
InChIKeyPRLWOKCEJIRQNP-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-bromo-3-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 81441664
N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]cyclopropanamine
CID 79367983
N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368166
N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368537
N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365740
N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79367506
N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine
CID 79368351
N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368826
N-[[2-(2,4-difluorophenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365830
[2-(3,4,5-trifluorophenyl)oxan-3-yl]methanol
CID 79372721
N-[[2-(4-bromo-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365469
1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine
CID 113329497

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine (CID 79368925) is N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1CCOC1c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is PRLWOKCEJIRQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-8(2)18-7-9-3-4-19-14(9)10-5-11(15)13(17)12(16)6-10/h5-6,8-9,14,18H,3-4,7H2,1-2H3.
What are the key properties of N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine?
N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 273.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79368925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).