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

C15H15N3O — CID 63888851

IUPAC4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESC[C@H](N)c1ccc(OCc2ccnc(C#N)c2)cc1
InChIInChI=1S/C15H15N3O/c1-11(17)13-2-4-15(5-3-13)19-10-12-6-7-18-14(8-12)9-16/h2-8,11H,10,17H2,1H3/t11-/m0/s1
InChIKeyIJSGCRZXAWUDIN-NSHDSACASA-N
MW253.30 g/mol
LogP2.55
Rot. Bonds4

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

4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 63888851) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID63888851
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESC[C@H](N)c1ccc(OCc2ccnc(C#N)c2)cc1
InChIInChI=1S/C15H15N3O/c1-11(17)13-2-4-15(5-3-13)19-10-12-6-7-18-14(8-12)9-16/h2-8,11H,10,17H2,1H3/t11-/m0/s1
InChIKeyIJSGCRZXAWUDIN-NSHDSACASA-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-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887242
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
4-[[4-[2-(methylamino)propyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 115494851
4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 63885020
4-[[2-[(1S)-1-aminoethyl]-4-bromophenoxy]methyl]pyridine-2-carbonitrile
CID 78953406
4-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 78953385
4-[[2-[(1R)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 63888861
4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 78953410
4-[[4-(ethylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63889419
4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 63888827

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile (CID 63888851) is 4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile is C[C@H](N)c1ccc(OCc2ccnc(C#N)c2)cc1.
What is the InChIKey of 4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is IJSGCRZXAWUDIN-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N3O/c1-11(17)13-2-4-15(5-3-13)19-10-12-6-7-18-14(8-12)9-16/h2-8,11H,10,17H2,1H3/t11-/m0/s1.
What are the key properties of 4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile?
4-[[4-[(1S)-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-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63888851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).