2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine

C21H19NO — CID 71567723

IUPAC2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine
SMILESCc1ccc([C@H]2C[C@@H](c3ccccn3)Oc3ccccc32)cc1
InChIInChI=1S/C21H19NO/c1-15-9-11-16(12-10-15)18-14-21(19-7-4-5-13-22-19)23-20-8-3-2-6-17(18)20/h2-13,18,21H,14H2,1H3/t18-,21+/m1/s1
InChIKeyGINDOHDNUMHYNP-NQIIRXRSSA-N
MW301.39 g/mol
LogP5.05
Rot. Bonds2

About 2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine

2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine (PubChem CID 71567723) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine
PubChem CID71567723
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine
SMILESCc1ccc([C@H]2C[C@@H](c3ccccn3)Oc3ccccc32)cc1
InChIInChI=1S/C21H19NO/c1-15-9-11-16(12-10-15)18-14-21(19-7-4-5-13-22-19)23-20-8-3-2-6-17(18)20/h2-13,18,21H,14H2,1H3/t18-,21+/m1/s1
InChIKeyGINDOHDNUMHYNP-NQIIRXRSSA-N
XLogP5.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine
CID 71568113
N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712242
2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine
CID 19895611
(4S)-4-(4-methylphenyl)-3,4-dihydro-1,2λ6-benzoxathiine 2,2-dioxide
CID 139051098
N,N-dimethyl-1-(4-phenyl-3,4-dihydro-2H-chromen-2-yl)methanamine;hydrobromide
CID 20560227
N,N-dimethyl-4-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 42601568
(2R)-2-pyridin-2-yl-3,4-dihydro-2H-chromen-5-ol
CID 129364109
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyridine
CID 135025433
(2S,4S)-4-phenyl-2-phenylsulfanyl-3,4-dihydro-2H-chromene
CID 164681206
(3R,5S)-2-methyl-3-[(3S,5S)-2-methyl-5-pyridin-2-yl-1,2-oxazolidin-3-yl]-5-pyridin-2-yl-1,2-oxazolidine
CID 6541701
(3S,5R)-2-methyl-3-[(3S,5R)-2-methyl-5-pyridin-2-yl-1,2-oxazolidin-3-yl]-5-pyridin-2-yl-1,2-oxazolidine
CID 701268
(2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene
CID 100969448

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine?
The IUPAC name of 2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine (CID 71567723) is 2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine.
What is the SMILES notation for 2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine?
The canonical SMILES for 2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine is Cc1ccc([C@H]2C[C@@H](c3ccccn3)Oc3ccccc32)cc1.
What is the InChIKey of 2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine?
The InChIKey is GINDOHDNUMHYNP-NQIIRXRSSA-N. The full InChI is InChI=1S/C21H19NO/c1-15-9-11-16(12-10-15)18-14-21(19-7-4-5-13-22-19)23-20-8-3-2-6-17(18)20/h2-13,18,21H,14H2,1H3/t18-,21+/m1/s1.
What are the key properties of 2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine?
2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine has a molecular weight of 301.39 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-(4-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine is sourced from PubChem (CID 71567723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).