N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine

C16H20FNO2 — CID 63934953

IUPACN-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COCc2ccccc2F)c(C)o1
InChIInChI=1S/C16H20FNO2/c1-3-18-9-15-8-14(12(2)20-15)11-19-10-13-6-4-5-7-16(13)17/h4-8,18H,3,9-11H2,1-2H3
InChIKeyFTHKIFAAOYFRRK-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.55
Rot. Bonds7

About N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine

N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine (PubChem CID 63934953) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
PubChem CID63934953
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC NameN-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COCc2ccccc2F)c(C)o1
InChIInChI=1S/C16H20FNO2/c1-3-18-9-15-8-14(12(2)20-15)11-19-10-13-6-4-5-7-16(13)17/h4-8,18H,3,9-11H2,1-2H3
InChIKeyFTHKIFAAOYFRRK-UHFFFAOYSA-N
XLogP3.55
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62445515
N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62454234
N-[[5-[(2-fluorophenyl)methoxymethyl]furan-2-yl]methyl]ethanamine
CID 63935555
1-[5-[(2-fluorophenyl)methoxymethyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 63937390
N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62459784
N-[[6-[(2-fluorophenyl)methoxymethyl]-2-pyridinyl]methyl]ethanamine
CID 106908363
N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 65125800
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
N-[[3,5-difluoro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882490
N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 63935765
N-[[5-[(4-bromo-3-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 65201154
N-ethyl-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-4-fluoroaniline
CID 62429847

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine (CID 63934953) is N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine is CCNCc1cc(COCc2ccccc2F)c(C)o1.
What is the InChIKey of N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine?
The InChIKey is FTHKIFAAOYFRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-3-18-9-15-8-14(12(2)20-15)11-19-10-13-6-4-5-7-16(13)17/h4-8,18H,3,9-11H2,1-2H3.
What are the key properties of N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine?
N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine has a molecular weight of 277.34 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 63934953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).