3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile

C14H13N3O — CID 83127679

IUPAC3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile
SMILESC[C@@H](N)c1ccc(Oc2cccc(C#N)c2)cn1
InChIInChI=1S/C14H13N3O/c1-10(16)14-6-5-13(9-17-14)18-12-4-2-3-11(7-12)8-15/h2-7,9-10H,16H2,1H3/t10-/m1/s1
InChIKeyBIAAWADILNEBFT-SNVBAGLBSA-N
MW239.28 g/mol
LogP2.77
Rot. Bonds3

About 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile

3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile (PubChem CID 83127679) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile
PubChem CID83127679
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile
SMILESC[C@@H](N)c1ccc(Oc2cccc(C#N)c2)cn1
InChIInChI=1S/C14H13N3O/c1-10(16)14-6-5-13(9-17-14)18-12-4-2-3-11(7-12)8-15/h2-7,9-10H,16H2,1H3/t10-/m1/s1
InChIKeyBIAAWADILNEBFT-SNVBAGLBSA-N
XLogP2.77
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127048
(1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127124
(1S)-1-[5-(3-iodophenoxy)-2-pyridinyl]ethanamine
CID 83123599
(1S)-1-[5-(3-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83127697
2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile
CID 83126884
(1R)-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127768
(1S)-1-(5-quinolin-7-yloxy-2-pyridinyl)ethanamine
CID 107313875
(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83123438
(1S)-1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanamine
CID 83123923
3-(3-ethoxyphenoxy)benzonitrile
CID 66843791
1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
CID 67997141
1-[5-(2,4,5-trichlorophenoxy)-2-pyridinyl]ethanamine
CID 83127680

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile?
The IUPAC name of 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile (CID 83127679) is 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile is C[C@@H](N)c1ccc(Oc2cccc(C#N)c2)cn1.
What is the InChIKey of 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile?
The InChIKey is BIAAWADILNEBFT-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10(16)14-6-5-13(9-17-14)18-12-4-2-3-11(7-12)8-15/h2-7,9-10H,16H2,1H3/t10-/m1/s1.
What are the key properties of 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile?
3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 83127679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).