2-[(3-ethylpyrrolidin-1-yl)methyl]phenol

C13H19NO — CID 115884823

IUPAC2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
SMILESCCC1CCN(Cc2ccccc2O)C1
InChIInChI=1S/C13H19NO/c1-2-11-7-8-14(9-11)10-12-5-3-4-6-13(12)15/h3-6,11,15H,2,7-10H2,1H3
InChIKeyALNYLCSCLLEWAV-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.62
Rot. Bonds3

About 2-[(3-ethylpyrrolidin-1-yl)methyl]phenol

2-[(3-ethylpyrrolidin-1-yl)methyl]phenol (PubChem CID 115884823) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[(3-ethylpyrrolidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
PubChem CID115884823
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
SMILESCCC1CCN(Cc2ccccc2O)C1
InChIInChI=1S/C13H19NO/c1-2-11-7-8-14(9-11)10-12-5-3-4-6-13(12)15/h3-6,11,15H,2,7-10H2,1H3
InChIKeyALNYLCSCLLEWAV-UHFFFAOYSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-propylpyrrolidin-1-yl)methyl]phenol
CID 115970486
2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
CID 113351697
1-benzyl-3-ethylpyrrolidine
CID 12648208
2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine
CID 115688607
3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115883991
2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol
CID 112616106
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
2-[2-(1-ethylpiperidin-4-yl)ethyl]phenol
CID 70831004
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)phenol
CID 115313739
[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine
CID 113417886
3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
CID 144719735
2-[(3-ethylpyrrolidin-1-yl)methyl]-6-nitroaniline
CID 107351544

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 2-[(3-ethylpyrrolidin-1-yl)methyl]phenol (CID 115884823) is 2-[(3-ethylpyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-[(3-ethylpyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 2-[(3-ethylpyrrolidin-1-yl)methyl]phenol is CCC1CCN(Cc2ccccc2O)C1.
What is the InChIKey of 2-[(3-ethylpyrrolidin-1-yl)methyl]phenol?
The InChIKey is ALNYLCSCLLEWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-11-7-8-14(9-11)10-12-5-3-4-6-13(12)15/h3-6,11,15H,2,7-10H2,1H3.
What are the key properties of 2-[(3-ethylpyrrolidin-1-yl)methyl]phenol?
2-[(3-ethylpyrrolidin-1-yl)methyl]phenol has a molecular weight of 205.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpyrrolidin-1-yl)methyl]phenol is sourced from PubChem (CID 115884823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).