3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine

C14H19N — CID 167582068

IUPAC3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine
SMILESCC1C=CCN(CCc2ccccc2)C1
InChIInChI=1S/C14H19N/c1-13-6-5-10-15(12-13)11-9-14-7-3-2-4-8-14/h2-8,13H,9-12H2,1H3
InChIKeyNXYORXWYXKFUCI-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.74
Rot. Bonds3

About 3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine

3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine (PubChem CID 167582068) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine
PubChem CID167582068
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine
SMILESCC1C=CCN(CCc2ccccc2)C1
InChIInChI=1S/C14H19N/c1-13-6-5-10-15(12-13)11-9-14-7-3-2-4-8-14/h2-8,13H,9-12H2,1H3
InChIKeyNXYORXWYXKFUCI-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3aS,6aR)-2-methyl-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534999
(3S)-3-methyl-1-(2-phenylethyl)piperazine
CID 95243884
3-(2-phenylethyl)-6-oxa-3-azabicyclo[3.1.0]hexane
CID 54116015
5-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60971520
carbanide;ethane;2-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;tungsten;yttrium
CID 159349372
(3aR,6aS)-5-(2-phenylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;propane
CID 144963091
1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine
CID 54327402
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
(3aR,7R,7aS)-7-methyl-2-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one
CID 133140047
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine (CID 167582068) is 3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine is CC1C=CCN(CCc2ccccc2)C1.
What is the InChIKey of 3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is NXYORXWYXKFUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-13-6-5-10-15(12-13)11-9-14-7-3-2-4-8-14/h2-8,13H,9-12H2,1H3.
What are the key properties of 3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine?
3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 201.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 167582068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).