4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile

C15H15N3O — CID 63882198

IUPAC4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccccc2CCN)ccn1
InChIInChI=1S/C15H15N3O/c16-7-5-13-3-1-2-4-15(13)19-11-12-6-8-18-14(9-12)10-17/h1-4,6,8-9H,5,7,11,16H2
InChIKeyBORLUIPESMZKRQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.03
Rot. Bonds5

About 4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile

4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 63882198) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID63882198
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2ccccc2CCN)ccn1
InChIInChI=1S/C15H15N3O/c16-7-5-13-3-1-2-4-15(13)19-11-12-6-8-18-14(9-12)10-17/h1-4,6,8-9H,5,7,11,16H2
InChIKeyBORLUIPESMZKRQ-UHFFFAOYSA-N
XLogP2.03
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile (CID 63882198) is 4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile is N#Cc1cc(COc2ccccc2CCN)ccn1.
What is the InChIKey of 4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is BORLUIPESMZKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-7-5-13-3-1-2-4-15(13)19-11-12-6-8-18-14(9-12)10-17/h1-4,6,8-9H,5,7,11,16H2.
What are the key properties of 4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile?
4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63882198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).