1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine

C20H25NO2 — CID 10638790

IUPAC1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
SMILESCOc1cc(Cc2ccccc2)ccc1OCCN1CCCC1
InChIInChI=1S/C20H25NO2/c1-22-20-16-18(15-17-7-3-2-4-8-17)9-10-19(20)23-14-13-21-11-5-6-12-21/h2-4,7-10,16H,5-6,11-15H2,1H3
InChIKeyOGMNGJTVIJQPQR-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.76
Rot. Bonds7

About 1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine

1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine (PubChem CID 10638790) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
PubChem CID10638790
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
SMILESCOc1cc(Cc2ccccc2)ccc1OCCN1CCCC1
InChIInChI=1S/C20H25NO2/c1-22-20-16-18(15-17-7-3-2-4-8-17)9-10-19(20)23-14-13-21-11-5-6-12-21/h2-4,7-10,16H,5-6,11-15H2,1H3
InChIKeyOGMNGJTVIJQPQR-UHFFFAOYSA-N
XLogP3.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine
CID 10852867
3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione
CID 71218001
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
2-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,1-dimethylhydrazine
CID 56700061
1-benzyl-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazine
CID 2977166
[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
3-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
CID 20990596
1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine
CID 148956256
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 61494131
1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine
CID 169337129
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine (CID 10638790) is 1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine is COc1cc(Cc2ccccc2)ccc1OCCN1CCCC1.
What is the InChIKey of 1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine?
The InChIKey is OGMNGJTVIJQPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-22-20-16-18(15-17-7-3-2-4-8-17)9-10-19(20)23-14-13-21-11-5-6-12-21/h2-4,7-10,16H,5-6,11-15H2,1H3.
What are the key properties of 1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine?
1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine has a molecular weight of 311.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 10638790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).