N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine

C16H21FN2O — CID 62413581

IUPACN-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O/c1-3-18-10-14-8-9-20-16(14)12-19(2)11-13-4-6-15(17)7-5-13/h4-9,18H,3,10-12H2,1-2H3
InChIKeySEJTWSOJYVEIGE-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.16
Rot. Bonds7

About N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine

N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine (PubChem CID 62413581) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
PubChem CID62413581
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC NameN-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O/c1-3-18-10-14-8-9-20-16(14)12-19(2)11-13-4-6-15(17)7-5-13/h4-9,18H,3,10-12H2,1-2H3
InChIKeySEJTWSOJYVEIGE-UHFFFAOYSA-N
XLogP3.16
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62411816
N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
CID 62428885
N-[[5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62411119
2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-carbohydrazide
CID 63577745
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine
CID 62417583
N-[[2-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62411999
N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62428599
4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline
CID 62435869
N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106905328
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62463764
N-[[2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
CID 79313218
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline
CID 62435038

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine (CID 62413581) is N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine is CCNCc1ccoc1CN(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine?
The InChIKey is SEJTWSOJYVEIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-3-18-10-14-8-9-20-16(14)12-19(2)11-13-4-6-15(17)7-5-13/h4-9,18H,3,10-12H2,1-2H3.
What are the key properties of N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine?
N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine has a molecular weight of 276.36 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62413581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).