N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline

C15H19FN2O — CID 62435493

IUPACN-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline
SMILESCCNCc1occc1CN(C)c1cccc(F)c1
InChIInChI=1S/C15H19FN2O/c1-3-17-10-15-12(7-8-19-15)11-18(2)14-6-4-5-13(16)9-14/h4-9,17H,3,10-11H2,1-2H3
InChIKeyOJJGGPSEGVXMNY-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.16
Rot. Bonds6

About N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline

N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline (PubChem CID 62435493) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline
PubChem CID62435493
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline
SMILESCCNCc1occc1CN(C)c1cccc(F)c1
InChIInChI=1S/C15H19FN2O/c1-3-17-10-15-12(7-8-19-15)11-18(2)14-6-4-5-13(16)9-14/h4-9,17H,3,10-11H2,1-2H3
InChIKeyOJJGGPSEGVXMNY-UHFFFAOYSA-N
XLogP3.16
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 62435496
N-[[3-(aminomethyl)furan-2-yl]methyl]-3-fluoro-N-methylaniline
CID 62435492
N-[[3-(diethylaminomethyl)furan-2-yl]methyl]ethanamine
CID 62438666
3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107556467
N-[[3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]furan-2-yl]methyl]ethanamine
CID 62461191
2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline
CID 62434727
2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
CID 112616216
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-methylcyclopentanamine
CID 55074631
N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 62437244
3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62461622
N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
CID 62413581
N-ethyl-3-[(3-fluoro-N-methylanilino)methyl]pyridin-2-amine
CID 62466616

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline (CID 62435493) is N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline is CCNCc1occc1CN(C)c1cccc(F)c1.
What is the InChIKey of N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline?
The InChIKey is OJJGGPSEGVXMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-3-17-10-15-12(7-8-19-15)11-18(2)14-6-4-5-13(16)9-14/h4-9,17H,3,10-11H2,1-2H3.
What are the key properties of N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline?
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline has a molecular weight of 262.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 62435493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).