N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline

C16H25FN2O — CID 62258149

IUPACN-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline
SMILESCCNCC1(CN(CC)c2ccc(F)cc2)CCOC1
InChIInChI=1S/C16H25FN2O/c1-3-18-11-16(9-10-20-13-16)12-19(4-2)15-7-5-14(17)6-8-15/h5-8,18H,3-4,9-13H2,1-2H3
InChIKeyJTOFCFHYWDLNQO-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.67
Rot. Bonds7

About N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline

N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline (PubChem CID 62258149) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline
PubChem CID62258149
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline
SMILESCCNCC1(CN(CC)c2ccc(F)cc2)CCOC1
InChIInChI=1S/C16H25FN2O/c1-3-18-11-16(9-10-20-13-16)12-19(4-2)15-7-5-14(17)6-8-15/h5-8,18H,3-4,9-13H2,1-2H3
InChIKeyJTOFCFHYWDLNQO-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline
CID 55056002
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline
CID 62257422
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62263802
3-[(N-ethyl-4-fluoroanilino)methyl]oxolan-3-amine
CID 64892421
4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
CID 62260426
[1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol
CID 62272788
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline
CID 115449003
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62262002
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcyclopropanamine
CID 62262540
N-[[3-[(2-fluorophenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 55111300
N-[[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 66360703
N-[[3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 62258177

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline?
The IUPAC name of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline (CID 62258149) is N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline.
What is the SMILES notation for N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline?
The canonical SMILES for N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline is CCNCC1(CN(CC)c2ccc(F)cc2)CCOC1.
What is the InChIKey of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline?
The InChIKey is JTOFCFHYWDLNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-18-11-16(9-10-20-13-16)12-19(4-2)15-7-5-14(17)6-8-15/h5-8,18H,3-4,9-13H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline?
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline has a molecular weight of 280.39 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline is sourced from PubChem (CID 62258149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).