(2S)-2-(2-phenylethoxy)-1,2-dihydropyridine

C13H15NO — CID 173408525

IUPAC(2S)-2-(2-phenylethoxy)-1,2-dihydropyridine
SMILESC1=CN[C@@H](OCCc2ccccc2)C=C1
InChIInChI=1S/C13H15NO/c1-2-6-12(7-3-1)9-11-15-13-8-4-5-10-14-13/h1-8,10,13-14H,9,11H2/t13-/m0/s1
InChIKeyDLYYSJSLHMGDEV-ZDUSSCGKSA-N
MW201.27 g/mol
LogP2.24
Rot. Bonds4

About (2S)-2-(2-phenylethoxy)-1,2-dihydropyridine

(2S)-2-(2-phenylethoxy)-1,2-dihydropyridine (PubChem CID 173408525) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-2-(2-phenylethoxy)-1,2-dihydropyridine.

Molecular Properties

Compound Name(2S)-2-(2-phenylethoxy)-1,2-dihydropyridine
PubChem CID173408525
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(2S)-2-(2-phenylethoxy)-1,2-dihydropyridine
SMILESC1=CN[C@@H](OCCc2ccccc2)C=C1
InChIInChI=1S/C13H15NO/c1-2-6-12(7-3-1)9-11-15-13-8-4-5-10-14-13/h1-8,10,13-14H,9,11H2/t13-/m0/s1
InChIKeyDLYYSJSLHMGDEV-ZDUSSCGKSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylmethoxy-1,2-dihydropyridine
CID 18975042
N-benzyl-1,2-dihydropyridin-2-amine
CID 19072346
2-cyclobutyloxyethylbenzene
CID 54003575
CID 58731637
CID 58731637
4-phenyl-3-(2-phenylethoxy)azetidin-2-one
CID 22073347
2-methoxyethylbenzene
CID 19089
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
2-phenylethoxymethylidenetungsten
CID 166530687
dimethyl(2-phenylethoxy)phosphane
CID 141159269
benzene;2-phenylethylbenzene
CID 18982764
cis-(1R,2S)-2-(2-phenylethoxy)cyclohexan-1-ol
CID 59987763
(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene
CID 14593673

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-phenylethoxy)-1,2-dihydropyridine?
The IUPAC name of (2S)-2-(2-phenylethoxy)-1,2-dihydropyridine (CID 173408525) is (2S)-2-(2-phenylethoxy)-1,2-dihydropyridine.
What is the SMILES notation for (2S)-2-(2-phenylethoxy)-1,2-dihydropyridine?
The canonical SMILES for (2S)-2-(2-phenylethoxy)-1,2-dihydropyridine is C1=CN[C@@H](OCCc2ccccc2)C=C1.
What is the InChIKey of (2S)-2-(2-phenylethoxy)-1,2-dihydropyridine?
The InChIKey is DLYYSJSLHMGDEV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-6-12(7-3-1)9-11-15-13-8-4-5-10-14-13/h1-8,10,13-14H,9,11H2/t13-/m0/s1.
What are the key properties of (2S)-2-(2-phenylethoxy)-1,2-dihydropyridine?
(2S)-2-(2-phenylethoxy)-1,2-dihydropyridine has a molecular weight of 201.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-phenylethoxy)-1,2-dihydropyridine is sourced from PubChem (CID 173408525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).