2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol

C14H22N2O — CID 66565025

IUPAC2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
SMILESCN(CCO)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-15(9-10-17)14-7-8-16(12-14)11-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3/t14-/m1/s1
InChIKeyMTRQJONYPRIQNA-CQSZACIVSA-N
MW234.34 g/mol
LogP1.18
Rot. Bonds5

About 2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol

2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol (PubChem CID 66565025) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
PubChem CID66565025
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
SMILESCN(CCO)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H22N2O/c1-15(9-10-17)14-7-8-16(12-14)11-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3/t14-/m1/s1
InChIKeyMTRQJONYPRIQNA-CQSZACIVSA-N
XLogP1.18
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052
2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
CID 66565042
2-[(1-benzylpiperidin-3-yl)-cyclopropylamino]ethanol
CID 66565068
(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129335856
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol
CID 96552834
1-benzyl-N,N-dimethylazetidin-3-amine
CID 53414031
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine
CID 163258237
(3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol
CID 129427984
N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11696722
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol?
The IUPAC name of 2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol (CID 66565025) is 2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol is CN(CCO)[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol?
The InChIKey is MTRQJONYPRIQNA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15(9-10-17)14-7-8-16(12-14)11-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3/t14-/m1/s1.
What are the key properties of 2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol?
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol is sourced from PubChem (CID 66565025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).