2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile

C15H15N3O — CID 83126884

IUPAC2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile
SMILESC[C@H](N)c1ccc(Oc2ccc(CC#N)cc2)cn1
InChIInChI=1S/C15H15N3O/c1-11(17)15-7-6-14(10-18-15)19-13-4-2-12(3-5-13)8-9-16/h2-7,10-11H,8,17H2,1H3/t11-/m0/s1
InChIKeyVKXGJECOYCIYTA-NSHDSACASA-N
MW253.30 g/mol
LogP2.96
Rot. Bonds4

About 2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile

2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile (PubChem CID 83126884) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile
PubChem CID83126884
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile
SMILESC[C@H](N)c1ccc(Oc2ccc(CC#N)cc2)cn1
InChIInChI=1S/C15H15N3O/c1-11(17)15-7-6-14(10-18-15)19-13-4-2-12(3-5-13)8-9-16/h2-7,10-11H,8,17H2,1H3/t11-/m0/s1
InChIKeyVKXGJECOYCIYTA-NSHDSACASA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[(1R)-1-aminoethyl]-3-pyridinyl]acetonitrile
CID 131186130
(1R)-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127768
(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83123438
3-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]oxy]benzonitrile
CID 83127679
2-[4-[3-(1-aminoethyl)phenoxy]phenyl]acetonitrile
CID 79170371
4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide
CID 83123833
1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 83123591
1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
CID 67997141
(1S)-1-[5-(3-methylphenoxy)-2-pyridinyl]ethanamine
CID 83127048
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
(1R)-1-[5-(3-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127124
(1S)-1-[5-(3-chlorophenoxy)-2-pyridinyl]ethanamine
CID 83127697

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile (CID 83126884) is 2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile is C[C@H](N)c1ccc(Oc2ccc(CC#N)cc2)cn1.
What is the InChIKey of 2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile?
The InChIKey is VKXGJECOYCIYTA-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N3O/c1-11(17)15-7-6-14(10-18-15)19-13-4-2-12(3-5-13)8-9-16/h2-7,10-11H,8,17H2,1H3/t11-/m0/s1.
What are the key properties of 2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile?
2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile is sourced from PubChem (CID 83126884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).