3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile

C16H17N3O — CID 62895682

IUPAC3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESCNC(C)c1ccccc1OCc1cccnc1C#N
InChIInChI=1S/C16H17N3O/c1-12(18-2)14-7-3-4-8-16(14)20-11-13-6-5-9-19-15(13)10-17/h3-9,12,18H,11H2,1-2H3
InChIKeyDWQOICMWLXZXIL-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.81
Rot. Bonds5

About 3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile

3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 62895682) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID62895682
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESCNC(C)c1ccccc1OCc1cccnc1C#N
InChIInChI=1S/C16H17N3O/c1-12(18-2)14-7-3-4-8-16(14)20-11-13-6-5-9-19-15(13)10-17/h3-9,12,18H,11H2,1-2H3
InChIKeyDWQOICMWLXZXIL-UHFFFAOYSA-N
XLogP2.81
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63364338
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920098
3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62893783
3-[[2-(propylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888578
1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 104791282
3-[[4-methyl-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63323490
3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894480
3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888583
3-[[2-(bromomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 55200531
2-[(2-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688243
3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62919079
3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62894437

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile (CID 62895682) is 3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile is CNC(C)c1ccccc1OCc1cccnc1C#N.
What is the InChIKey of 3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is DWQOICMWLXZXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12(18-2)14-7-3-4-8-16(14)20-11-13-6-5-9-19-15(13)10-17/h3-9,12,18H,11H2,1-2H3.
What are the key properties of 3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile?
3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62895682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).