N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine

C13H16F3NO — CID 63012396

IUPACN-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
SMILESCNC(c1c(F)cc(F)cc1F)C1CCCOC1
InChIInChI=1S/C13H16F3NO/c1-17-13(8-3-2-4-18-7-8)12-10(15)5-9(14)6-11(12)16/h5-6,8,13,17H,2-4,7H2,1H3
InChIKeyMIZXFNHYQUUYFM-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.79
Rot. Bonds3

About N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine

N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine (PubChem CID 63012396) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
PubChem CID63012396
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
SMILESCNC(c1c(F)cc(F)cc1F)C1CCCOC1
InChIInChI=1S/C13H16F3NO/c1-17-13(8-3-2-4-18-7-8)12-10(15)5-9(14)6-11(12)16/h5-6,8,13,17H,2-4,7H2,1H3
InChIKeyMIZXFNHYQUUYFM-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107289018
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012561
N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine
CID 107139171
[(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229979
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
N-methyl-1-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
CID 79758753
1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61273212
1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012550
[(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139728
oxolan-3-yl-(2,4,6-trifluorophenyl)methanol
CID 61277498
1-cyclohexyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 54880539
1-cyclooctyl-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 65018264

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine (CID 63012396) is N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine is CNC(c1c(F)cc(F)cc1F)C1CCCOC1.
What is the InChIKey of N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is MIZXFNHYQUUYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-17-13(8-3-2-4-18-7-8)12-10(15)5-9(14)6-11(12)16/h5-6,8,13,17H,2-4,7H2,1H3.
What are the key properties of N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine?
N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 259.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 63012396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).