N-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline

C13H19FN2O — CID 55056390

IUPACN-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline
SMILESCN(CC1(CN)CCOC1)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-16(12-4-2-3-11(14)7-12)9-13(8-15)5-6-17-10-13/h2-4,7H,5-6,8-10,15H2,1H3
InChIKeySJEMWAKYXKHOTC-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.63
Rot. Bonds4

About N-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline

N-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline (PubChem CID 55056390) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline
PubChem CID55056390
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline
SMILESCN(CC1(CN)CCOC1)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-16(12-4-2-3-11(14)7-12)9-13(8-15)5-6-17-10-13/h2-4,7H,5-6,8-10,15H2,1H3
InChIKeySJEMWAKYXKHOTC-UHFFFAOYSA-N
XLogP1.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline (CID 55056390) is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline is CN(CC1(CN)CCOC1)c1cccc(F)c1.
What is the InChIKey of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline?
The InChIKey is SJEMWAKYXKHOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16(12-4-2-3-11(14)7-12)9-13(8-15)5-6-17-10-13/h2-4,7H,5-6,8-10,15H2,1H3.
What are the key properties of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline?
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline has a molecular weight of 238.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 55056390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).