1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine

C20H23NO — CID 110177591

IUPAC1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCOC(CN1CC=C(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H23NO/c1-22-20(19-10-6-3-7-11-19)16-21-14-12-18(13-15-21)17-8-4-2-5-9-17/h2-12,20H,13-16H2,1H3
InChIKeyMRSCTEFTIAGVKU-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.16
Rot. Bonds5

About 1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine

1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 110177591) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID110177591
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCOC(CN1CC=C(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H23NO/c1-22-20(19-10-6-3-7-11-19)16-21-14-12-18(13-15-21)17-8-4-2-5-9-17/h2-12,20H,13-16H2,1H3
InChIKeyMRSCTEFTIAGVKU-UHFFFAOYSA-N
XLogP4.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine (CID 110177591) is 1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine is COC(CN1CC=C(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is MRSCTEFTIAGVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-22-20(19-10-6-3-7-11-19)16-21-14-12-18(13-15-21)17-8-4-2-5-9-17/h2-12,20H,13-16H2,1H3.
What are the key properties of 1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine?
1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 293.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 110177591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).