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

C13H16F3NO — CID 79758753

IUPACN-methyl-1-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
SMILESCNC(c1c(F)cc(F)cc1F)C1CCOC1C
InChIInChI=1S/C13H16F3NO/c1-7-9(3-4-18-7)13(17-2)12-10(15)5-8(14)6-11(12)16/h5-7,9,13,17H,3-4H2,1-2H3
InChIKeyRDEJUTUMYDKYME-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.79
Rot. Bonds3

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

N-methyl-1-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine (PubChem CID 79758753) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-methyl-1-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
PubChem CID79758753
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-methyl-1-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
SMILESCNC(c1c(F)cc(F)cc1F)C1CCOC1C
InChIInChI=1S/C13H16F3NO/c1-7-9(3-4-18-7)13(17-2)12-10(15)5-8(14)6-11(12)16/h5-7,9,13,17H,3-4H2,1-2H3
InChIKeyRDEJUTUMYDKYME-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

(2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methanol
CID 79763149
1-(2-chloro-4,5-difluorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 107476133
1-(2-chloro-4-fluoro-5-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 81045363
N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 79758597
N-methyl-1-(oxan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
CID 63012396
1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79760213
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 113425485
1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 115482207
1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 81474158
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79758919
N-methyl-1-(2-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
CID 79758920
2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine
CID 82727725

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of N-methyl-1-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine (CID 79758753) is N-methyl-1-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine is CNC(c1c(F)cc(F)cc1F)C1CCOC1C.
What is the InChIKey of N-methyl-1-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is RDEJUTUMYDKYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-7-9(3-4-18-7)13(17-2)12-10(15)5-8(14)6-11(12)16/h5-7,9,13,17H,3-4H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine?
N-methyl-1-(2-methyloxolan-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-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 79758753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).