N-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline

C15H23FN2O — CID 55056138

IUPACN-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline
SMILESCCN(CC1(CNC)CCOC1)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-3-18(14-6-4-13(16)5-7-14)11-15(10-17-2)8-9-19-12-15/h4-7,17H,3,8-12H2,1-2H3
InChIKeyYPTIHDUXTPSABC-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.28
Rot. Bonds6

About N-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline

N-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline (PubChem CID 55056138) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline
PubChem CID55056138
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline
SMILESCCN(CC1(CNC)CCOC1)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-3-18(14-6-4-13(16)5-7-14)11-15(10-17-2)8-9-19-12-15/h4-7,17H,3,8-12H2,1-2H3
InChIKeyYPTIHDUXTPSABC-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline?
The IUPAC name of N-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline (CID 55056138) is N-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline.
What is the SMILES notation for N-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline?
The canonical SMILES for N-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline is CCN(CC1(CNC)CCOC1)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline?
The InChIKey is YPTIHDUXTPSABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-18(14-6-4-13(16)5-7-14)11-15(10-17-2)8-9-19-12-15/h4-7,17H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline?
N-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline has a molecular weight of 266.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline is sourced from PubChem (CID 55056138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).