1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine

C20H25NO — CID 10732658

IUPAC1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
SMILESc1ccc(Cc2ccc(COCCN3CCCC3)cc2)cc1
InChIInChI=1S/C20H25NO/c1-2-6-18(7-3-1)16-19-8-10-20(11-9-19)17-22-15-14-21-12-4-5-13-21/h1-3,6-11H,4-5,12-17H2
InChIKeyZQTHDWMEVQKRKN-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.89
Rot. Bonds7

About 1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine

1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine (PubChem CID 10732658) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
PubChem CID10732658
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
SMILESc1ccc(Cc2ccc(COCCN3CCCC3)cc2)cc1
InChIInChI=1S/C20H25NO/c1-2-6-18(7-3-1)16-19-8-10-20(11-9-19)17-22-15-14-21-12-4-5-13-21/h1-3,6-11H,4-5,12-17H2
InChIKeyZQTHDWMEVQKRKN-UHFFFAOYSA-N
XLogP3.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526
2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 157014112
3-(2-pyrrolidin-1-ylethoxymethyl)aniline
CID 57136741
1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine
CID 58513850
bis(3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid);hydrate
CID 156599366
8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 130536954
1-[[4-(3-phenylpropoxymethyl)phenyl]methyl]piperidine
CID 54429308
1-[2-(4-benzyl-2-chlorophenoxy)ethyl]pyrrolidine
CID 10852867
N-benzyl-2-(2-pyrrolidin-1-ylethoxy)ethanamine
CID 82353074
1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
CID 10638790

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine (CID 10732658) is 1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine is c1ccc(Cc2ccc(COCCN3CCCC3)cc2)cc1.
What is the InChIKey of 1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine?
The InChIKey is ZQTHDWMEVQKRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-2-6-18(7-3-1)16-19-8-10-20(11-9-19)17-22-15-14-21-12-4-5-13-21/h1-3,6-11H,4-5,12-17H2.
What are the key properties of 1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine?
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine has a molecular weight of 295.43 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine is sourced from PubChem (CID 10732658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).