3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile

C15H15N3O — CID 55205880

IUPAC3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
SMILESCc1ccc(OCc2cccnc2C#N)c(CN)c1
InChIInChI=1S/C15H15N3O/c1-11-4-5-15(13(7-11)8-16)19-10-12-3-2-6-18-14(12)9-17/h2-7H,8,10,16H2,1H3
InChIKeyXLYPHMZWMSAAIX-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.30
Rot. Bonds4

About 3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile

3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 55205880) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
PubChem CID55205880
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
SMILESCc1ccc(OCc2cccnc2C#N)c(CN)c1
InChIInChI=1S/C15H15N3O/c1-11-4-5-15(13(7-11)8-16)19-10-12-3-2-6-18-14(12)9-17/h2-7H,8,10,16H2,1H3
InChIKeyXLYPHMZWMSAAIX-UHFFFAOYSA-N
XLogP2.30
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(bromomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 55200531
3-[[4-methyl-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63323490
3-[[2-(aminomethyl)-4-bromo-6-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 115960853
[2-[(2-bromophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322646
3-[[4-bromo-2-(methylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888583
3-[[2-(propylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888578
3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62893783
[2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199212
3-[(2-bromo-4-chlorophenoxy)methyl]pyridine-2-carbonitrile
CID 62919246
3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile
CID 62890135
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920098
[2-[(2-cyano-3-pyridinyl)methoxy]-5-methoxyphenyl]boronic acid
CID 104706075

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile (CID 55205880) is 3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile is Cc1ccc(OCc2cccnc2C#N)c(CN)c1.
What is the InChIKey of 3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is XLYPHMZWMSAAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-4-5-15(13(7-11)8-16)19-10-12-3-2-6-18-14(12)9-17/h2-7H,8,10,16H2,1H3.
What are the key properties of 3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile?
3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 55205880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).