2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine

C17H28N2O2 — CID 103228667

IUPAC2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)OC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2O2/c1-3-18-11-17(14-20-2)21-16-9-10-19(13-16)12-15-7-5-4-6-8-15/h4-8,16-18H,3,9-14H2,1-2H3
InChIKeyCLSQNYRQCMRONY-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.90
Rot. Bonds9

About 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine

2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine (PubChem CID 103228667) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine
PubChem CID103228667
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)OC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2O2/c1-3-18-11-17(14-20-2)21-16-9-10-19(13-16)12-15-7-5-4-6-8-15/h4-8,16-18H,3,9-14H2,1-2H3
InChIKeyCLSQNYRQCMRONY-UHFFFAOYSA-N
XLogP1.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
CID 62918388
4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
CID 62918214
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
1-benzyl-3-(2-methylpropoxy)pyrrolidine
CID 67473333
2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine
CID 62918386
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903
1-benzyl-3-ethylpyrrolidine
CID 12648208
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
(1-benzylpyrrolidin-3-yl) sulfite
CID 91372704
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine?
The IUPAC name of 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine (CID 103228667) is 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine?
The canonical SMILES for 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine is CCNCC(COC)OC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine?
The InChIKey is CLSQNYRQCMRONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-18-11-17(14-20-2)21-16-9-10-19(13-16)12-15-7-5-4-6-8-15/h4-8,16-18H,3,9-14H2,1-2H3.
What are the key properties of 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine?
2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrolidin-3-yl)oxy-N-ethyl-3-methoxypropan-1-amine is sourced from PubChem (CID 103228667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).