2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol

C16H25NO2 — CID 111439739

IUPAC2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol
SMILESCc1ccc(CC2CCCN2CCOCCO)cc1
InChIInChI=1S/C16H25NO2/c1-14-4-6-15(7-5-14)13-16-3-2-8-17(16)9-11-19-12-10-18/h4-7,16,18H,2-3,8-13H2,1H3
InChIKeyJTAQFZAUGHFKTF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.01
Rot. Bonds7

About 2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol

2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol (PubChem CID 111439739) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol
PubChem CID111439739
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol
SMILESCc1ccc(CC2CCCN2CCOCCO)cc1
InChIInChI=1S/C16H25NO2/c1-14-4-6-15(7-5-14)13-16-3-2-8-17(16)9-11-19-12-10-18/h4-7,16,18H,2-3,8-13H2,1H3
InChIKeyJTAQFZAUGHFKTF-UHFFFAOYSA-N
XLogP2.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]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

N-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 56789870
3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076411
2-[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]ethoxy]ethanol
CID 111332764
[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol
CID 62735847
2-[2-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]ethoxy]ethanol
CID 95719841
3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 83623294
[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111244755
[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013980
[(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62046348
2-[2-(2-cycloheptylazepan-1-yl)ethoxy]ethanol
CID 152713199
1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 14482400

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol (CID 111439739) is 2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol is Cc1ccc(CC2CCCN2CCOCCO)cc1.
What is the InChIKey of 2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol?
The InChIKey is JTAQFZAUGHFKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14-4-6-15(7-5-14)13-16-3-2-8-17(16)9-11-19-12-10-18/h4-7,16,18H,2-3,8-13H2,1H3.
What are the key properties of 2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol?
2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 111439739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).