2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol

C15H24N2O — CID 96554121

IUPAC2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
SMILESCN(Cc1ccccc1)C[C@H]1CCCN1CCO
InChIInChI=1S/C15H24N2O/c1-16(12-14-6-3-2-4-7-14)13-15-8-5-9-17(15)10-11-18/h2-4,6-7,15,18H,5,8-13H2,1H3/t15-/m1/s1
InChIKeyRSXMOGVTLJQRHR-OAHLLOKOSA-N
MW248.37 g/mol
LogP1.58
Rot. Bonds6

About 2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol

2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol (PubChem CID 96554121) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
PubChem CID96554121
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
SMILESCN(Cc1ccccc1)C[C@H]1CCCN1CCO
InChIInChI=1S/C15H24N2O/c1-16(12-14-6-3-2-4-7-14)13-15-8-5-9-17(15)10-11-18/h2-4,6-7,15,18H,5,8-13H2,1H3/t15-/m1/s1
InChIKeyRSXMOGVTLJQRHR-OAHLLOKOSA-N
XLogP1.58
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol
CID 96554125
2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554160
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554161
2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol
CID 66566955
benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate
CID 66566494
(2S)-2-[[benzyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
CID 67649850
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554122
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419
2-[(2R)-2-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554164
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]benzoic acid
CID 79319788
2-amino-1-[2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 77144167
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol (CID 96554121) is 2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol is CN(Cc1ccccc1)C[C@H]1CCCN1CCO.
What is the InChIKey of 2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol?
The InChIKey is RSXMOGVTLJQRHR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16(12-14-6-3-2-4-7-14)13-15-8-5-9-17(15)10-11-18/h2-4,6-7,15,18H,5,8-13H2,1H3/t15-/m1/s1.
What are the key properties of 2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol?
2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 96554121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).