3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline

C14H21FN2O — CID 55056438

IUPAC3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline
SMILESCNCC1(CN(C)c2cccc(F)c2)CCOC1
InChIInChI=1S/C14H21FN2O/c1-16-9-14(6-7-18-11-14)10-17(2)13-5-3-4-12(15)8-13/h3-5,8,16H,6-7,9-11H2,1-2H3
InChIKeyWJIXGXTZGNGUDS-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.89
Rot. Bonds5

About 3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline

3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline (PubChem CID 55056438) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline
PubChem CID55056438
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline
SMILESCNCC1(CN(C)c2cccc(F)c2)CCOC1
InChIInChI=1S/C14H21FN2O/c1-16-9-14(6-7-18-11-14)10-17(2)13-5-3-4-12(15)8-13/h3-5,8,16H,6-7,9-11H2,1-2H3
InChIKeyWJIXGXTZGNGUDS-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline?
The IUPAC name of 3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline (CID 55056438) is 3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline.
What is the SMILES notation for 3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline?
The canonical SMILES for 3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline is CNCC1(CN(C)c2cccc(F)c2)CCOC1.
What is the InChIKey of 3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline?
The InChIKey is WJIXGXTZGNGUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16-9-14(6-7-18-11-14)10-17(2)13-5-3-4-12(15)8-13/h3-5,8,16H,6-7,9-11H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline?
3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline has a molecular weight of 252.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline is sourced from PubChem (CID 55056438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).