3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile

C16H16FN3O — CID 107686850

IUPAC3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile
SMILESCCNCc1ccc(OCc2cccnc2C#N)c(F)c1
InChIInChI=1S/C16H16FN3O/c1-2-19-10-12-5-6-16(14(17)8-12)21-11-13-4-3-7-20-15(13)9-18/h3-8,19H,2,10-11H2,1H3
InChIKeyNFYYPHJTBYFQJM-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.78
Rot. Bonds6

About 3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile

3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 107686850) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile
PubChem CID107686850
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile
SMILESCCNCc1ccc(OCc2cccnc2C#N)c(F)c1
InChIInChI=1S/C16H16FN3O/c1-2-19-10-12-5-6-16(14(17)8-12)21-11-13-4-3-7-20-15(13)9-18/h3-8,19H,2,10-11H2,1H3
InChIKeyNFYYPHJTBYFQJM-UHFFFAOYSA-N
XLogP2.78
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 107691144
N-[[4-fluoro-3-[(2-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]ethanamine
CID 107457828
N-[[4-[(2,5-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686817
N-[[4-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 71052508
N-[[4-[(3-chloro-4-pyridinyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686953
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
3-[[4-methyl-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63323490
3-[[2-(propylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888578
N-[[4-[(3,5-dimethylphenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686901
N-[[3-fluoro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 107686985
3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888583
3-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridine-2-carbonitrile
CID 103289458

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile (CID 107686850) is 3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile is CCNCc1ccc(OCc2cccnc2C#N)c(F)c1.
What is the InChIKey of 3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is NFYYPHJTBYFQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-2-19-10-12-5-6-16(14(17)8-12)21-11-13-4-3-7-20-15(13)9-18/h3-8,19H,2,10-11H2,1H3.
What are the key properties of 3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile?
3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 285.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylaminomethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 107686850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).