2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile

C17H19N3O — CID 81393551

IUPAC2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile
SMILESCC(N[C@H](C)c1ccccn1)c1ccc(OCC#N)cc1
InChIInChI=1S/C17H19N3O/c1-13(20-14(2)17-5-3-4-11-19-17)15-6-8-16(9-7-15)21-12-10-18/h3-9,11,13-14,20H,12H2,1-2H3/t13?,14-/m1/s1
InChIKeyRRQLVLRUZBUDRK-ARLHGKGLSA-N
MW281.36 g/mol
LogP3.40
Rot. Bonds6

About 2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile

2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile (PubChem CID 81393551) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile
PubChem CID81393551
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile
SMILESCC(N[C@H](C)c1ccccn1)c1ccc(OCC#N)cc1
InChIInChI=1S/C17H19N3O/c1-13(20-14(2)17-5-3-4-11-19-17)15-6-8-16(9-7-15)21-12-10-18/h3-9,11,13-14,20H,12H2,1-2H3/t13?,14-/m1/s1
InChIKeyRRQLVLRUZBUDRK-ARLHGKGLSA-N
XLogP3.40
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile with MolForge

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Related Compounds

2-[4-[1-(1-phenylethylamino)ethyl]phenoxy]acetonitrile
CID 43755916
2-[4-[1-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]phenoxy]acetonitrile
CID 81395331
1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202622
1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79037238
2-[4-[1-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]phenoxy]acetonitrile
CID 103922081
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79040984
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81392625
3-[1-(1-pyridin-2-ylethylamino)ethyl]benzonitrile
CID 43767322
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile
CID 43776527

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile (CID 81393551) is 2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile is CC(N[C@H](C)c1ccccn1)c1ccc(OCC#N)cc1.
What is the InChIKey of 2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile?
The InChIKey is RRQLVLRUZBUDRK-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13(20-14(2)17-5-3-4-11-19-17)15-6-8-16(9-7-15)21-12-10-18/h3-9,11,13-14,20H,12H2,1-2H3/t13?,14-/m1/s1.
What are the key properties of 2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile?
2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenoxy]acetonitrile is sourced from PubChem (CID 81393551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).