2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol

C15H24N2O — CID 96554122

IUPAC2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
SMILESCN(Cc1ccccc1)C[C@@H]1CCN(CCO)C1
InChIInChI=1S/C15H24N2O/c1-16(11-14-5-3-2-4-6-14)12-15-7-8-17(13-15)9-10-18/h2-6,15,18H,7-13H2,1H3/t15-/m0/s1
InChIKeyKKOKQVSWLPQLLK-HNNXBMFYSA-N
MW248.37 g/mol
LogP1.43
Rot. Bonds6

About 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol

2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol (PubChem CID 96554122) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
PubChem CID96554122
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
SMILESCN(Cc1ccccc1)C[C@@H]1CCN(CCO)C1
InChIInChI=1S/C15H24N2O/c1-16(11-14-5-3-2-4-6-14)12-15-7-8-17(13-15)9-10-18/h2-6,15,18H,7-13H2,1H3/t15-/m0/s1
InChIKeyKKOKQVSWLPQLLK-HNNXBMFYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554158
2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554129
2-[(3R)-3-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554163
N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 23723586
[4-[[benzyl(methyl)amino]methyl]cyclohexyl]methanol
CID 83980394
2-[(2R)-2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554121
2-[(3R)-3-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol
CID 95143050
1-(1-ethylpyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 166673507
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol
CID 96554125
phenyl 2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanesulfonate
CID 56510289
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 63274047
2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 131920847

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol (CID 96554122) is 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol is CN(Cc1ccccc1)C[C@@H]1CCN(CCO)C1.
What is the InChIKey of 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol?
The InChIKey is KKOKQVSWLPQLLK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16(11-14-5-3-2-4-6-14)12-15-7-8-17(13-15)9-10-18/h2-6,15,18H,7-13H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol?
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 96554122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).