2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol

C14H21NO2 — CID 113351697

IUPAC2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
SMILESCCC1CCN(Cc2cc(OC)ccc2O)C1
InChIInChI=1S/C14H21NO2/c1-3-11-6-7-15(9-11)10-12-8-13(17-2)4-5-14(12)16/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3
InChIKeyXVVSZAPAEMGBNA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.63
Rot. Bonds4

About 2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol

2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol (PubChem CID 113351697) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
PubChem CID113351697
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
SMILESCCC1CCN(Cc2cc(OC)ccc2O)C1
InChIInChI=1S/C14H21NO2/c1-3-11-6-7-15(9-11)10-12-8-13(17-2)4-5-14(12)16/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3
InChIKeyXVVSZAPAEMGBNA-UHFFFAOYSA-N
XLogP2.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981208
4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol
CID 61205073
2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115884823
[2-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]boronic acid
CID 65327480
5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol
CID 112548941
2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol
CID 55217645
N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103917998
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 82983035
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol
CID 82980053
[4-methoxy-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 65327539
4-methoxy-2-[(4-propylpiperazin-1-yl)methyl]phenol
CID 82975290
2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol
CID 62067190

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol (CID 113351697) is 2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol is CCC1CCN(Cc2cc(OC)ccc2O)C1.
What is the InChIKey of 2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol?
The InChIKey is XVVSZAPAEMGBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-11-6-7-15(9-11)10-12-8-13(17-2)4-5-14(12)16/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3.
What are the key properties of 2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol?
2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol has a molecular weight of 235.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol is sourced from PubChem (CID 113351697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).