5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine

C28H32N2O2 — CID 15388802

IUPAC5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine
SMILESCOc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)nc1
InChIInChI=1S/C28H32N2O2/c1-31-24-11-13-26-22(19-24)9-12-25(21-7-3-2-4-8-21)28(26)23-10-14-27(29-20-23)32-18-17-30-15-5-6-16-30/h2-4,7-8,10-11,13-14,19-20,25,28H,5-6,9,12,15-18H2,1H3/t25-,28+/m1/s1
InChIKeyBJSWQAIOBMOMMB-NAKRPHOHSA-N
MW428.58 g/mol
LogP5.43
Rot. Bonds7

About 5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine

5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine (PubChem CID 15388802) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine.

Molecular Properties

Compound Name5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine
PubChem CID15388802
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine
SMILESCOc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)nc1
InChIInChI=1S/C28H32N2O2/c1-31-24-11-13-26-22(19-24)9-12-25(21-7-3-2-4-8-21)28(26)23-10-14-27(29-20-23)32-18-17-30-15-5-6-16-30/h2-4,7-8,10-11,13-14,19-20,25,28H,5-6,9,12,15-18H2,1H3/t25-,28+/m1/s1
InChIKeyBJSWQAIOBMOMMB-NAKRPHOHSA-N
XLogP5.43
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)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

1-[2-[4-[(1R,2R)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]pyrrolidine
CID 12018054
1-[2-[4-[(1R,2S)-5-methoxy-2-phenyl-2,3-dihydro-1H-inden-1-yl]phenoxy]ethyl]pyrrolidine
CID 3088987
(5S,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10527520
methoxymethane;1-[2-[4-[(1R,2S)-2-phenyl-6-(trioxidanylsulfanyloxy)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]pyrrolidine
CID 159136523
(5R,6S)-3-methoxy-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis((5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-2,3-diol)
CID 162130226
(2S,3S)-2,3-dihydroxy-4-oxo-4-[[(5R,6S)-5-phenyl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoic acid
CID 90964398
(5S,6R)-6-(4-hydroxyphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22865212
(5R,6S)-5-[4-[2-(1-hydroxypyrrolidin-1-ium-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 159186337
1-[2-[4-(6-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]pyrrolidine
CID 18355487
(5R)-6-phenyl-5-[4-(2-piperazin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 155031736
[(5R,6S)-5-[4-[2-[3-(difluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxysulfanyl-diiodophosphane
CID 129126363
[(5R,6S)-6-phenyl-5-[4-(1,1,2,2-tetradeuterio-2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-yl] hydrogen sulfate
CID 71749755

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine?
The IUPAC name of 5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine (CID 15388802) is 5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine.
What is the SMILES notation for 5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine?
The canonical SMILES for 5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine is COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)nc1.
What is the InChIKey of 5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine?
The InChIKey is BJSWQAIOBMOMMB-NAKRPHOHSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-31-24-11-13-26-22(19-24)9-12-25(21-7-3-2-4-8-21)28(26)23-10-14-27(29-20-23)32-18-17-30-15-5-6-16-30/h2-4,7-8,10-11,13-14,19-20,25,28H,5-6,9,12,15-18H2,1H3/t25-,28+/m1/s1.
What are the key properties of 5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine?
5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine has a molecular weight of 428.58 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2-pyrrolidin-1-ylethoxy)pyridine is sourced from PubChem (CID 15388802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).