3-(3,5-dimethoxyphenyl)-4-[(1S)-1-phenylethyl]pyridine

C21H21NO2 — CID 138978965

IUPAC3-(3,5-dimethoxyphenyl)-4-[(1S)-1-phenylethyl]pyridine
SMILESCOc1cc(OC)cc(-c2cnccc2[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C21H21NO2/c1-15(16-7-5-4-6-8-16)20-9-10-22-14-21(20)17-11-18(23-2)13-19(12-17)24-3/h4-15H,1-3H3/t15-/m0/s1
InChIKeyLSRGWKPWMSMUCQ-HNNXBMFYSA-N
MW319.40 g/mol
LogP4.92
Rot. Bonds5

About 3-(3,5-dimethoxyphenyl)-4-[(1S)-1-phenylethyl]pyridine

3-(3,5-dimethoxyphenyl)-4-[(1S)-1-phenylethyl]pyridine (PubChem CID 138978965) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-4-[(1S)-1-phenylethyl]pyridine.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-4-[(1S)-1-phenylethyl]pyridine
PubChem CID138978965
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name3-(3,5-dimethoxyphenyl)-4-[(1S)-1-phenylethyl]pyridine
SMILESCOc1cc(OC)cc(-c2cnccc2[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C21H21NO2/c1-15(16-7-5-4-6-8-16)20-9-10-22-14-21(20)17-11-18(23-2)13-19(12-17)24-3/h4-15H,1-3H3/t15-/m0/s1
InChIKeyLSRGWKPWMSMUCQ-HNNXBMFYSA-N
XLogP4.92
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53229470
1,3-bis[4-methoxy-2,6-bis[(1R)-1-phenylethyl]phenyl]imidazolidine
CID 161065401
1,3-bis[4-methoxy-2,6-bis(1-phenylethyl)phenyl]imidazolidine
CID 175206372
(3,5-dimethoxyphenyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066374
1,3-dimethoxy-5-phenylbenzene
CID 11469945
1,3-bis[4-methoxy-2,6-bis[(1R)-1-phenylethyl]phenyl]imidazolidine;hydrochloride
CID 175206370
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
1-[2-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethynyl]phenyl]-3,5-dimethoxybenzene
CID 23727303
3-fluoro-4-(3-fluoro-5-methoxyphenyl)pyridine
CID 165479125
1,3-dimethoxy-5-(2-methylphenyl)benzene
CID 86038743
(3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine
CID 105086338
1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene
CID 102293642

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-4-[(1S)-1-phenylethyl]pyridine?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-4-[(1S)-1-phenylethyl]pyridine (CID 138978965) is 3-(3,5-dimethoxyphenyl)-4-[(1S)-1-phenylethyl]pyridine.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-4-[(1S)-1-phenylethyl]pyridine?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-4-[(1S)-1-phenylethyl]pyridine is COc1cc(OC)cc(-c2cnccc2[C@@H](C)c2ccccc2)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-4-[(1S)-1-phenylethyl]pyridine?
The InChIKey is LSRGWKPWMSMUCQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-15(16-7-5-4-6-8-16)20-9-10-22-14-21(20)17-11-18(23-2)13-19(12-17)24-3/h4-15H,1-3H3/t15-/m0/s1.
What are the key properties of 3-(3,5-dimethoxyphenyl)-4-[(1S)-1-phenylethyl]pyridine?
3-(3,5-dimethoxyphenyl)-4-[(1S)-1-phenylethyl]pyridine has a molecular weight of 319.40 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-4-[(1S)-1-phenylethyl]pyridine is sourced from PubChem (CID 138978965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).