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

C15H18FNO2 — CID 62454234

IUPACN-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2ccccc2F)c(C)o1
InChIInChI=1S/C15H18FNO2/c1-3-17-9-13-8-12(11(2)19-13)10-18-15-7-5-4-6-14(15)16/h4-8,17H,3,9-10H2,1-2H3
InChIKeyRUMDUPRUEOBSKH-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.42
Rot. Bonds6

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

N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine (PubChem CID 62454234) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine
PubChem CID62454234
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2ccccc2F)c(C)o1
InChIInChI=1S/C15H18FNO2/c1-3-17-9-13-8-12(11(2)19-13)10-18-15-7-5-4-6-14(15)16/h4-8,17H,3,9-10H2,1-2H3
InChIKeyRUMDUPRUEOBSKH-UHFFFAOYSA-N
XLogP3.42
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-fluorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 63934953
N-[[5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62459784
[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 62454744
N-[[5-methyl-4-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62453613
N-[[4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62445515
N-[[4-[(2,3-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62453502
N-[[4-[(2,3-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 63490951
N-[[5-[(2,3-difluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 63036291
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
N-[[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453218
N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 63877651
N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 114676891

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine (CID 62454234) is N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine is CCNCc1cc(COc2ccccc2F)c(C)o1.
What is the InChIKey of N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine?
The InChIKey is RUMDUPRUEOBSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-3-17-9-13-8-12(11(2)19-13)10-18-15-7-5-4-6-14(15)16/h4-8,17H,3,9-10H2,1-2H3.
What are the key properties of N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine?
N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine has a molecular weight of 263.31 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 62454234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).