[2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine

C14H17FN2O — CID 114011948

IUPAC[2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
SMILESCN(Cc1ccoc1)Cc1ccc(F)c(CN)c1
InChIInChI=1S/C14H17FN2O/c1-17(9-12-4-5-18-10-12)8-11-2-3-14(15)13(6-11)7-16/h2-6,10H,7-9,16H2,1H3
InChIKeyXOLAOPNEEUMLMK-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.51
Rot. Bonds5

About [2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine

[2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine (PubChem CID 114011948) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is [2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
PubChem CID114011948
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name[2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
SMILESCN(Cc1ccoc1)Cc1ccc(F)c(CN)c1
InChIInChI=1S/C14H17FN2O/c1-17(9-12-4-5-18-10-12)8-11-2-3-14(15)13(6-11)7-16/h2-6,10H,7-9,16H2,1H3
InChIKeyXOLAOPNEEUMLMK-UHFFFAOYSA-N
XLogP2.51
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 61421488
4-fluoro-3-[[furan-3-ylmethyl(methyl)amino]methyl]benzenecarbothioamide
CID 61422643
[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluorophenyl]methanamine
CID 107878267
5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline
CID 61422466
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 114011973
[5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine
CID 107556500
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 107878095
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine
CID 107878648
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
CID 107878250
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine
CID 107878479
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107878711

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine (CID 114011948) is [2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine is CN(Cc1ccoc1)Cc1ccc(F)c(CN)c1.
What is the InChIKey of [2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine?
The InChIKey is XOLAOPNEEUMLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-17(9-12-4-5-18-10-12)8-11-2-3-14(15)13(6-11)7-16/h2-6,10H,7-9,16H2,1H3.
What are the key properties of [2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine?
[2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine has a molecular weight of 248.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine is sourced from PubChem (CID 114011948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).