N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline

C15H23FN2O — CID 55074213

IUPACN-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
SMILESCCN(CC1CCC(CNC)O1)c1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-3-18(13-6-4-5-12(16)9-13)11-15-8-7-14(19-15)10-17-2/h4-6,9,14-15,17H,3,7-8,10-11H2,1-2H3
InChIKeyAEMMNWKOPMHKLM-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.42
Rot. Bonds6

About N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline

N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline (PubChem CID 55074213) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
PubChem CID55074213
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
SMILESCCN(CC1CCC(CNC)O1)c1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-3-18(13-6-4-5-12(16)9-13)11-15-8-7-14(19-15)10-17-2/h4-6,9,14-15,17H,3,7-8,10-11H2,1-2H3
InChIKeyAEMMNWKOPMHKLM-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 55073617
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62425314
4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62436939
4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62435116
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline
CID 62462333
N-ethyl-N-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]-3-fluoroaniline
CID 63493667
N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline
CID 79842644
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62462715
N-[(2-amino-5-ethylcyclohexyl)methyl]-N-ethyl-3-fluoroaniline
CID 63493479
5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one
CID 79865978
4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67271900
1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine
CID 62419753

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
The IUPAC name of N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline (CID 55074213) is N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline.
What is the SMILES notation for N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
The canonical SMILES for N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline is CCN(CC1CCC(CNC)O1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
The InChIKey is AEMMNWKOPMHKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-18(13-6-4-5-12(16)9-13)11-15-8-7-14(19-15)10-17-2/h4-6,9,14-15,17H,3,7-8,10-11H2,1-2H3.
What are the key properties of N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline has a molecular weight of 266.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline is sourced from PubChem (CID 55074213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).