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

C28H31NO — CID 68926816

IUPAC2-methyl-1-[6-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
SMILESCC1CCCN1C1CCc2cc(-c3ccccc3OCc3ccccc3)ccc2C1
InChIInChI=1S/C28H31NO/c1-21-8-7-17-29(21)26-16-15-23-18-25(14-13-24(23)19-26)27-11-5-6-12-28(27)30-20-22-9-3-2-4-10-22/h2-6,9-14,18,21,26H,7-8,15-17,19-20H2,1H3
InChIKeyWVJAOIAIIKGFHI-UHFFFAOYSA-N
MW397.56 g/mol
LogP6.27
Rot. Bonds5

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

2-methyl-1-[6-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine (PubChem CID 68926816) has the molecular formula C28H31NO and a molecular weight of 397.56 g/mol. Its IUPAC name is 2-methyl-1-[6-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine.

Molecular Properties

Compound Name2-methyl-1-[6-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
PubChem CID68926816
Molecular FormulaC28H31NO
Molecular Weight397.56 g/mol
Exact Mass397.24
IUPAC Name2-methyl-1-[6-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
SMILESCC1CCCN1C1CCc2cc(-c3ccccc3OCc3ccccc3)ccc2C1
InChIInChI=1S/C28H31NO/c1-21-8-7-17-29(21)26-16-15-23-18-25(14-13-24(23)19-26)27-11-5-6-12-28(27)30-20-22-9-3-2-4-10-22/h2-6,9-14,18,21,26H,7-8,15-17,19-20H2,1H3
InChIKeyWVJAOIAIIKGFHI-UHFFFAOYSA-N
XLogP6.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(2-fluoro-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68929187
2-methyl-1-[6-(4-phenoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
CID 68933562
2-methyl-1-(6-thianthren-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine
CID 68929215
(2S)-2-methyl-1-[(2R)-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
CID 129395466
ethyl 4-[6-(2-methylpyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzoate
CID 68932127
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
1-[6-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylpyrrolidine
CID 68929138
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
6-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 166257815
2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
CID 155988744
[6-[[4-(2-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 20700046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The IUPAC name of 2-methyl-1-[6-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine (CID 68926816) is 2-methyl-1-[6-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine.
What is the SMILES notation for 2-methyl-1-[6-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The canonical SMILES for 2-methyl-1-[6-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine is CC1CCCN1C1CCc2cc(-c3ccccc3OCc3ccccc3)ccc2C1.
What is the InChIKey of 2-methyl-1-[6-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
The InChIKey is WVJAOIAIIKGFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO/c1-21-8-7-17-29(21)26-16-15-23-18-25(14-13-24(23)19-26)27-11-5-6-12-28(27)30-20-22-9-3-2-4-10-22/h2-6,9-14,18,21,26H,7-8,15-17,19-20H2,1H3.
What are the key properties of 2-methyl-1-[6-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine?
2-methyl-1-[6-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine has a molecular weight of 397.56 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine is sourced from PubChem (CID 68926816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).