2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol

C17H28N2O — CID 111635011

IUPAC2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol
SMILESCCCN(C)CC1CCN(CC(O)c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-3-10-18(2)12-15-9-11-19(13-15)14-17(20)16-7-5-4-6-8-16/h4-8,15,17,20H,3,9-14H2,1-2H3
InChIKeyCMJNBPMCHUQZBM-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.38
Rot. Bonds7

About 2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol

2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol (PubChem CID 111635011) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol
PubChem CID111635011
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol
SMILESCCCN(C)CC1CCN(CC(O)c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-3-10-18(2)12-15-9-11-19(13-15)14-17(20)16-7-5-4-6-8-16/h4-8,15,17,20H,3,9-14H2,1-2H3
InChIKeyCMJNBPMCHUQZBM-UHFFFAOYSA-N
XLogP2.38
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol 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-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 110898679
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
2-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 86895161
(1S)-2-[4-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95289588
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612776
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
(1S)-2-[4-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95292947
3-[[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl-methylamino]methyl]benzoic acid
CID 122029023
2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 112698266
2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol
CID 111490262
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(3,4-difluorophenyl)ethanol
CID 110898682
2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol
CID 113246314

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol (CID 111635011) is 2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol is CCCN(C)CC1CCN(CC(O)c2ccccc2)C1.
What is the InChIKey of 2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol?
The InChIKey is CMJNBPMCHUQZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-10-18(2)12-15-9-11-19(13-15)14-17(20)16-7-5-4-6-8-16/h4-8,15,17,20H,3,9-14H2,1-2H3.
What are the key properties of 2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol?
2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol has a molecular weight of 276.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 111635011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).