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

C13H14FNO2 — CID 62454744

IUPAC[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine
SMILESCc1oc(CN)cc1COc1ccccc1F
InChIInChI=1S/C13H14FNO2/c1-9-10(6-11(7-15)17-9)8-16-13-5-3-2-4-12(13)14/h2-6H,7-8,15H2,1H3
InChIKeyLTUZMGTYWHHNBI-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.76
Rot. Bonds4

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

[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine (PubChem CID 62454744) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is [4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine
PubChem CID62454744
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine
SMILESCc1oc(CN)cc1COc1ccccc1F
InChIInChI=1S/C13H14FNO2/c1-9-10(6-11(7-15)17-9)8-16-13-5-3-2-4-12(13)14/h2-6H,7-8,15H2,1H3
InChIKeyLTUZMGTYWHHNBI-UHFFFAOYSA-N
XLogP2.76
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-4-[[2-(trifluoromethyl)phenoxy]methyl]furan-2-yl]methanamine
CID 62450904
[5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine
CID 62449992
N-[[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62454234
[4-[(2,5-dimethylphenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 62452684
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62453737
[4-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methanamine
CID 107661009
5-chloro-2-[(2-fluorophenoxy)methyl]aniline
CID 62102569
N-[[5-methyl-4-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62453613
[2-[(2,4-difluorophenoxy)methyl]phenyl]methanamine
CID 16791044
[5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine
CID 62442483
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine?
The IUPAC name of [4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine (CID 62454744) is [4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine.
What is the SMILES notation for [4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine?
The canonical SMILES for [4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine is Cc1oc(CN)cc1COc1ccccc1F.
What is the InChIKey of [4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine?
The InChIKey is LTUZMGTYWHHNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-9-10(6-11(7-15)17-9)8-16-13-5-3-2-4-12(13)14/h2-6H,7-8,15H2,1H3.
What are the key properties of [4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine?
[4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine has a molecular weight of 235.26 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methanamine is sourced from PubChem (CID 62454744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).