2-benzyl-3-(3-methoxyphenyl)pyrrolidine

C18H21NO — CID 62720607

IUPAC2-benzyl-3-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCNC2Cc2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-20-16-9-5-8-15(13-16)17-10-11-19-18(17)12-14-6-3-2-4-7-14/h2-9,13,17-19H,10-12H2,1H3
InChIKeyBGLNQCOUZWACHX-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.38
Rot. Bonds4

About 2-benzyl-3-(3-methoxyphenyl)pyrrolidine

2-benzyl-3-(3-methoxyphenyl)pyrrolidine (PubChem CID 62720607) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-benzyl-3-(3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-benzyl-3-(3-methoxyphenyl)pyrrolidine
PubChem CID62720607
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-benzyl-3-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCNC2Cc2ccccc2)c1
InChIInChI=1S/C18H21NO/c1-20-16-9-5-8-15(13-16)17-10-11-19-18(17)12-14-6-3-2-4-7-14/h2-9,13,17-19H,10-12H2,1H3
InChIKeyBGLNQCOUZWACHX-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3-(3-cyclopropylphenyl)pyrrolidine
CID 79971324
[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 131873349
2-ethyl-3-(3-phenoxyphenyl)pyrrolidine
CID 63468592
2-benzyl-3-(3-chloro-4-fluorophenyl)pyrrolidine
CID 81165823
2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine
CID 21260489
3-(3-ethoxyphenyl)-2-(2-methylpropyl)pyrrolidine
CID 62763617
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
2-ethyl-3-phenylpyrrolidine
CID 62354556
5-(3-methoxyphenyl)-1-methyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione
CID 73259610
methyl 3-phenylpyrrolidine-2-carboxylate
CID 18663579
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
3-benzyl-1-(3-methoxyphenyl)piperazine
CID 57219049

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(3-methoxyphenyl)pyrrolidine?
The IUPAC name of 2-benzyl-3-(3-methoxyphenyl)pyrrolidine (CID 62720607) is 2-benzyl-3-(3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-benzyl-3-(3-methoxyphenyl)pyrrolidine?
The canonical SMILES for 2-benzyl-3-(3-methoxyphenyl)pyrrolidine is COc1cccc(C2CCNC2Cc2ccccc2)c1.
What is the InChIKey of 2-benzyl-3-(3-methoxyphenyl)pyrrolidine?
The InChIKey is BGLNQCOUZWACHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-20-16-9-5-8-15(13-16)17-10-11-19-18(17)12-14-6-3-2-4-7-14/h2-9,13,17-19H,10-12H2,1H3.
What are the key properties of 2-benzyl-3-(3-methoxyphenyl)pyrrolidine?
2-benzyl-3-(3-methoxyphenyl)pyrrolidine has a molecular weight of 267.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 62720607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).