2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile

C15H15N3 — CID 93034581

IUPAC2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
SMILESC[C@@H](NCc1ccccc1C#N)c1ccccn1
InChIInChI=1S/C15H15N3/c1-12(15-8-4-5-9-17-15)18-11-14-7-3-2-6-13(14)10-16/h2-9,12,18H,11H2,1H3/t12-/m1/s1
InChIKeyLSOKQHGYJSIBFE-GFCCVEGCSA-N
MW237.31 g/mol
LogP2.80
Rot. Bonds4

About 2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile

2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile (PubChem CID 93034581) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
PubChem CID93034581
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
SMILESC[C@@H](NCc1ccccc1C#N)c1ccccn1
InChIInChI=1S/C15H15N3/c1-12(15-8-4-5-9-17-15)18-11-14-7-3-2-6-13(14)10-16/h2-9,12,18H,11H2,1H3/t12-/m1/s1
InChIKeyLSOKQHGYJSIBFE-GFCCVEGCSA-N
XLogP2.80
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
2-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzonitrile
CID 107935975
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
3-methyl-4-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 104930155
1,5-dimethyl-4-[(1-pyridin-2-ylethylamino)methyl]pyrrole-2-carbonitrile
CID 115572777
(1R)-N-[(2-phenylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 69062118
N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181334
(1R)-N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28648797
2-methoxy-4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 106787755
2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 107935967
3,5-difluoro-4-[(1-pyridin-2-ylethylamino)methyl]benzonitrile
CID 107037642

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile?
The IUPAC name of 2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile (CID 93034581) is 2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile.
What is the SMILES notation for 2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile?
The canonical SMILES for 2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile is C[C@@H](NCc1ccccc1C#N)c1ccccn1.
What is the InChIKey of 2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile?
The InChIKey is LSOKQHGYJSIBFE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15N3/c1-12(15-8-4-5-9-17-15)18-11-14-7-3-2-6-13(14)10-16/h2-9,12,18H,11H2,1H3/t12-/m1/s1.
What are the key properties of 2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile?
2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile has a molecular weight of 237.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile is sourced from PubChem (CID 93034581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).