N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline

C15H23FN2O — CID 55056002

IUPACN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline
SMILESCCNCC1(CN(C)c2ccc(F)cc2)CCOC1
InChIInChI=1S/C15H23FN2O/c1-3-17-10-15(8-9-19-12-15)11-18(2)14-6-4-13(16)5-7-14/h4-7,17H,3,8-12H2,1-2H3
InChIKeyUTOZNGXPDPEDBL-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.28
Rot. Bonds6

About N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline

N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline (PubChem CID 55056002) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline
PubChem CID55056002
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline
SMILESCCNCC1(CN(C)c2ccc(F)cc2)CCOC1
InChIInChI=1S/C15H23FN2O/c1-3-17-10-15(8-9-19-12-15)11-18(2)14-6-4-13(16)5-7-14/h4-7,17H,3,8-12H2,1-2H3
InChIKeyUTOZNGXPDPEDBL-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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Related Compounds

4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
CID 62260426
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoroaniline
CID 62258149
4-[methyl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]phenol
CID 62261909
4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 63493700
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcyclopropanamine
CID 62262540
3-[(4-fluoro-N-methylanilino)methyl]oxolane-3-carbaldehyde
CID 55050591
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline
CID 62257422
N-[[3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 62258177
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline
CID 63739631
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline
CID 55051657
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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline?
The IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline (CID 55056002) is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline.
What is the SMILES notation for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline?
The canonical SMILES for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline is CCNCC1(CN(C)c2ccc(F)cc2)CCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline?
The InChIKey is UTOZNGXPDPEDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-17-10-15(8-9-19-12-15)11-18(2)14-6-4-13(16)5-7-14/h4-7,17H,3,8-12H2,1-2H3.
What are the key properties of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline?
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline 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-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 55056002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).