N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine

C12H22F3NO2 — CID 106706225

IUPACN-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(COCC(F)(F)F)CCOC1C
InChIInChI=1S/C12H22F3NO2/c1-9(2)16-6-11(4-5-18-10(11)3)7-17-8-12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeyQXCFFJJWCYXFSH-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.36
Rot. Bonds6

About N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine

N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 106706225) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID106706225
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC NameN-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(COCC(F)(F)F)CCOC1C
InChIInChI=1S/C12H22F3NO2/c1-9(2)16-6-11(4-5-18-10(11)3)7-17-8-12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeyQXCFFJJWCYXFSH-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
CID 106706226
N-[[1-(2,2,2-trifluoroethoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 106706062
N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 106705985
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 103412751
N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535154
N-[[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534661
N-[[3-(2-tert-butylsulfonylethyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 106730407
1-[3-(ethoxymethyl)-2-methyloxolan-3-yl]-N-methylmethanamine
CID 114534229
N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 106706218
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534670
N-[(3-cyclopentyl-2-methyloxolan-3-yl)methyl]propan-2-amine
CID 114534707
2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 114535331

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine (CID 106706225) is N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(COCC(F)(F)F)CCOC1C.
What is the InChIKey of N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is QXCFFJJWCYXFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-9(2)16-6-11(4-5-18-10(11)3)7-17-8-12(13,14)15/h9-10,16H,4-8H2,1-3H3.
What are the key properties of N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine?
N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 269.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 106706225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).