2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine

C27H29NO — CID 68933562

IUPAC2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
SMILESCC1CCCN1C1CCc2cc(-c3ccc(Oc4ccccc4)cc3)ccc2C1
InChIInChI=1S/C27H29NO/c1-20-6-5-17-28(20)25-14-11-23-18-22(9-10-24(23)19-25)21-12-15-27(16-13-21)29-26-7-3-2-4-8-26/h2-4,7-10,12-13,15-16,18,20,25H,5-6,11,14,17,19H2,1H3
InChIKeyRDXBELKOUQQZBJ-UHFFFAOYSA-N
MW383.54 g/mol
LogP6.49
Rot. Bonds4

About 2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine

2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine (PubChem CID 68933562) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
PubChem CID68933562
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
SMILESCC1CCCN1C1CCc2cc(-c3ccc(Oc4ccccc4)cc3)ccc2C1
InChIInChI=1S/C27H29NO/c1-20-6-5-17-28(20)25-14-11-23-18-22(9-10-24(23)19-25)21-12-15-27(16-13-21)29-26-7-3-2-4-8-26/h2-4,7-10,12-13,15-16,18,20,25H,5-6,11,14,17,19H2,1H3
InChIKeyRDXBELKOUQQZBJ-UHFFFAOYSA-N
XLogP6.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68929304
1-[6-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68926802
1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68929187
ethyl 4-[6-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzoate
CID 68932127
(2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
CID 129395466
1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68987766
(2R)-1-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68930732
2-methyl-1-(6-thianthren-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine
CID 68929215
ethyl 3-[6-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzoate
CID 68924541
1-[6-(2-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
CID 24753957
2-methoxy-5-[6-(2-propan-2-ylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]pyridine
CID 68928271
6-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 20500036

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The IUPAC name of 2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine (CID 68933562) is 2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine.
What is the SMILES notation for 2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The canonical SMILES for 2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine is CC1CCCN1C1CCc2cc(-c3ccc(Oc4ccccc4)cc3)ccc2C1.
What is the InChIKey of 2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The InChIKey is RDXBELKOUQQZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c1-20-6-5-17-28(20)25-14-11-23-18-22(9-10-24(23)19-25)21-12-15-27(16-13-21)29-26-7-3-2-4-8-26/h2-4,7-10,12-13,15-16,18,20,25H,5-6,11,14,17,19H2,1H3.
What are the key properties of 2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine has a molecular weight of 383.54 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine is sourced from PubChem (CID 68933562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).