2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine

C13H20N2O — CID 94894903

IUPAC2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
SMILESNCCO[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H20N2O/c14-7-9-16-13-6-8-15(11-13)10-12-4-2-1-3-5-12/h1-5,13H,6-11,14H2/t13-/m0/s1
InChIKeyVPLOUQLMYCNBOS-ZDUSSCGKSA-N
MW220.32 g/mol
LogP1.24
Rot. Bonds5

About 2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine

2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine (PubChem CID 94894903) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine.

Molecular Properties

Compound Name2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
PubChem CID94894903
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
SMILESNCCO[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H20N2O/c14-7-9-16-13-6-8-15(11-13)10-12-4-2-1-3-5-12/h1-5,13H,6-11,14H2/t13-/m0/s1
InChIKeyVPLOUQLMYCNBOS-ZDUSSCGKSA-N
XLogP1.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine
CID 62918386
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
1-benzyl-3-(2-methylpropoxy)pyrrolidine
CID 67473333
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
2-(1-benzylpiperidin-3-yl)oxyethanol
CID 66563831
4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
CID 62918214
2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692849
2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyethanamine
CID 82689141
3-(1-benzylpiperidin-4-yl)oxypropanamide
CID 2779233
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
5-(1-benzylpyrrolidin-3-yl)pentan-1-amine
CID 123137581
(1-benzylpyrrolidin-3-yl) sulfite
CID 91372704

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine?
The IUPAC name of 2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine (CID 94894903) is 2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine.
What is the SMILES notation for 2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine?
The canonical SMILES for 2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine is NCCO[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine?
The InChIKey is VPLOUQLMYCNBOS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O/c14-7-9-16-13-6-8-15(11-13)10-12-4-2-1-3-5-12/h1-5,13H,6-11,14H2/t13-/m0/s1.
What are the key properties of 2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine?
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine is sourced from PubChem (CID 94894903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).