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

C16H26N2O — CID 96554129

IUPAC2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol
SMILESCCN(Cc1ccccc1)C[C@@H]1CCN(CCO)C1
InChIInChI=1S/C16H26N2O/c1-2-17(12-15-6-4-3-5-7-15)13-16-8-9-18(14-16)10-11-19/h3-7,16,19H,2,8-14H2,1H3/t16-/m0/s1
InChIKeyBJKGRXLGDNZUTM-INIZCTEOSA-N
MW262.40 g/mol
LogP1.82
Rot. Bonds7

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

2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol (PubChem CID 96554129) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol
PubChem CID96554129
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol
SMILESCCN(Cc1ccccc1)C[C@@H]1CCN(CCO)C1
InChIInChI=1S/C16H26N2O/c1-2-17(12-15-6-4-3-5-7-15)13-16-8-9-18(14-16)10-11-19/h3-7,16,19H,2,8-14H2,1H3/t16-/m0/s1
InChIKeyBJKGRXLGDNZUTM-INIZCTEOSA-N
XLogP1.82
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 66567008
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554122
2-[2-[[benzyl(ethyl)amino]methyl]piperidin-1-yl]ethanol
CID 66566955
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanamine
CID 96554158
4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol
CID 42566598
2-[[ethyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 56704647
3-[[benzyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 66008001
2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol
CID 45180737
4-[4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenyl]but-3-yn-1-ol
CID 23723545
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-ethyl-N-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]acetamide
CID 66567340
2-[3-(diethylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 19846080

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol (CID 96554129) is 2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol is CCN(Cc1ccccc1)C[C@@H]1CCN(CCO)C1.
What is the InChIKey of 2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol?
The InChIKey is BJKGRXLGDNZUTM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-17(12-15-6-4-3-5-7-15)13-16-8-9-18(14-16)10-11-19/h3-7,16,19H,2,8-14H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol?
2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol has a molecular weight of 262.40 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[[benzyl(ethyl)amino]methyl]pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 96554129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).