N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline

C16H21FN2O — CID 62436049

IUPACN-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline
SMILESCCNCc1cc(CN(C)c2ccc(F)cc2)oc1C
InChIInChI=1S/C16H21FN2O/c1-4-18-10-13-9-16(20-12(13)2)11-19(3)15-7-5-14(17)6-8-15/h5-9,18H,4,10-11H2,1-3H3
InChIKeyVTOZJNREUBGDGY-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.47
Rot. Bonds6

About N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline

N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline (PubChem CID 62436049) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline
PubChem CID62436049
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC NameN-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline
SMILESCCNCc1cc(CN(C)c2ccc(F)cc2)oc1C
InChIInChI=1S/C16H21FN2O/c1-4-18-10-13-9-16(20-12(13)2)11-19(3)15-7-5-14(17)6-8-15/h5-9,18H,4,10-11H2,1-3H3
InChIKeyVTOZJNREUBGDGY-UHFFFAOYSA-N
XLogP3.47
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline?
The IUPAC name of N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline (CID 62436049) is N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline.
What is the SMILES notation for N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline?
The canonical SMILES for N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline is CCNCc1cc(CN(C)c2ccc(F)cc2)oc1C.
What is the InChIKey of N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline?
The InChIKey is VTOZJNREUBGDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-4-18-10-13-9-16(20-12(13)2)11-19(3)15-7-5-14(17)6-8-15/h5-9,18H,4,10-11H2,1-3H3.
What are the key properties of N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline?
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline has a molecular weight of 276.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 62436049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).