4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile

C15H15N3O — CID 63887242

IUPAC4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESCC(N)c1cccc(OCc2ccnc(C#N)c2)c1
InChIInChI=1S/C15H15N3O/c1-11(17)13-3-2-4-15(8-13)19-10-12-5-6-18-14(7-12)9-16/h2-8,11H,10,17H2,1H3
InChIKeyBZOXOFGYPCSEFL-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.55
Rot. Bonds4

About 4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile

4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 63887242) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID63887242
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESCC(N)c1cccc(OCc2ccnc(C#N)c2)c1
InChIInChI=1S/C15H15N3O/c1-11(17)13-3-2-4-15(8-13)19-10-12-5-6-18-14(7-12)9-16/h2-8,11H,10,17H2,1H3
InChIKeyBZOXOFGYPCSEFL-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888851
3-[[3-[(1S)-1-aminoethyl]phenoxy]methyl]benzonitrile
CID 55190628
4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 63888827
4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887840
5-[[3-[(1S)-1-aminoethyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 107879536
4-[[3-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882354
(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 55190099
3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid
CID 63888033
4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63884627
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 30123362
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile (CID 63887242) is 4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile is CC(N)c1cccc(OCc2ccnc(C#N)c2)c1.
What is the InChIKey of 4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is BZOXOFGYPCSEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11(17)13-3-2-4-15(8-13)19-10-12-5-6-18-14(7-12)9-16/h2-8,11H,10,17H2,1H3.
What are the key properties of 4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile?
4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63887242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).