2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine

C14H22N2O — CID 62918386

IUPAC2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine
SMILESCNCCOC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-15-8-10-17-14-7-9-16(12-14)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeySOQXYTYYPMSYRY-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.50
Rot. Bonds6

About 2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine

2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine (PubChem CID 62918386) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine.

Molecular Properties

Compound Name2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine
PubChem CID62918386
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine
SMILESCNCCOC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-15-8-10-17-14-7-9-16(12-14)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3
InChIKeySOQXYTYYPMSYRY-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903
4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
CID 62918214
3-(1-benzylpyrrolidin-3-yl)oxy-N,2,2-trimethylpropan-1-amine
CID 79626908
1-benzyl-3-(2-methylpropoxy)pyrrolidine
CID 67473333
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
2-(1-benzylpiperidin-3-yl)oxyethanol
CID 66563831
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-ethoxypyrrolidin-3-amine
CID 82709325
(1-benzylpyrrolidin-3-yl) sulfite
CID 91372704

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine?
The IUPAC name of 2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine (CID 62918386) is 2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine.
What is the SMILES notation for 2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine?
The canonical SMILES for 2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine is CNCCOC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine?
The InChIKey is SOQXYTYYPMSYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-8-10-17-14-7-9-16(12-14)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3.
What are the key properties of 2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine?
2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine is sourced from PubChem (CID 62918386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).