1-[1-(2-benzylphenoxy)ethyl]pyrrolidine

C19H23NO — CID 18678292

IUPAC1-[1-(2-benzylphenoxy)ethyl]pyrrolidine
SMILESCC(Oc1ccccc1Cc1ccccc1)N1CCCC1
InChIInChI=1S/C19H23NO/c1-16(20-13-7-8-14-20)21-19-12-6-5-11-18(19)15-17-9-3-2-4-10-17/h2-6,9-12,16H,7-8,13-15H2,1H3
InChIKeyGLJZBTKQUSSHKE-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.10
Rot. Bonds5

About 1-[1-(2-benzylphenoxy)ethyl]pyrrolidine

1-[1-(2-benzylphenoxy)ethyl]pyrrolidine (PubChem CID 18678292) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[1-(2-benzylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(2-benzylphenoxy)ethyl]pyrrolidine
PubChem CID18678292
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[1-(2-benzylphenoxy)ethyl]pyrrolidine
SMILESCC(Oc1ccccc1Cc1ccccc1)N1CCCC1
InChIInChI=1S/C19H23NO/c1-16(20-13-7-8-14-20)21-19-12-6-5-11-18(19)15-17-9-3-2-4-10-17/h2-6,9-12,16H,7-8,13-15H2,1H3
InChIKeyGLJZBTKQUSSHKE-UHFFFAOYSA-N
XLogP4.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1-(2-benzylphenoxy)propan-2-yl]piperidine;phosphoric acid
CID 76969563
(2R)-1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine
CID 168859772
1-[1-(2-benzylphenoxy)propan-2-yl]-2-methylpiperidine;hydrochloride
CID 169088627
(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 32728580
N-[2-(2-benzylphenoxy)ethyl]propan-2-amine
CID 62598105
2-(2-benzylphenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 166191419
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
N-[(2-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 112727650
1-[1-[4-(2-benzyl-1-phenylbut-1-enyl)phenoxy]ethyl]piperidine
CID 70142379
1-benzyl-2-propan-2-ylbenzene
CID 13215617
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
2-(2-benzylphenoxy)-1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 166189655

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-benzylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[1-(2-benzylphenoxy)ethyl]pyrrolidine (CID 18678292) is 1-[1-(2-benzylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[1-(2-benzylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[1-(2-benzylphenoxy)ethyl]pyrrolidine is CC(Oc1ccccc1Cc1ccccc1)N1CCCC1.
What is the InChIKey of 1-[1-(2-benzylphenoxy)ethyl]pyrrolidine?
The InChIKey is GLJZBTKQUSSHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-16(20-13-7-8-14-20)21-19-12-6-5-11-18(19)15-17-9-3-2-4-10-17/h2-6,9-12,16H,7-8,13-15H2,1H3.
What are the key properties of 1-[1-(2-benzylphenoxy)ethyl]pyrrolidine?
1-[1-(2-benzylphenoxy)ethyl]pyrrolidine has a molecular weight of 281.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-benzylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 18678292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).