2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol

C17H27NO2 — CID 82982908

IUPAC2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
SMILESCCC1(CC)CCN(C(C)c2ccc(OC)cc2O)C1
InChIInChI=1S/C17H27NO2/c1-5-17(6-2)9-10-18(12-17)13(3)15-8-7-14(20-4)11-16(15)19/h7-8,11,13,19H,5-6,9-10,12H2,1-4H3
InChIKeyILIGLUGLVAGLJH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.97
Rot. Bonds5

About 2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol

2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol (PubChem CID 82982908) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
PubChem CID82982908
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
SMILESCCC1(CC)CCN(C(C)c2ccc(OC)cc2O)C1
InChIInChI=1S/C17H27NO2/c1-5-17(6-2)9-10-18(12-17)13(3)15-8-7-14(20-4)11-16(15)19/h7-8,11,13,19H,5-6,9-10,12H2,1-4H3
InChIKeyILIGLUGLVAGLJH-UHFFFAOYSA-N
XLogP3.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.97
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

5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974711
2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-4-methylphenol
CID 82983849
2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82979886
4-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]phenol
CID 82983612
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol
CID 82958093
5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82980447
5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol
CID 114541116
2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol
CID 104584163
5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
CID 82978518
5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol
CID 102969245
5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 113429442
5-methoxy-2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenol
CID 104583453

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol (CID 82982908) is 2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol is CCC1(CC)CCN(C(C)c2ccc(OC)cc2O)C1.
What is the InChIKey of 2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol?
The InChIKey is ILIGLUGLVAGLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-17(6-2)9-10-18(12-17)13(3)15-8-7-14(20-4)11-16(15)19/h7-8,11,13,19H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol?
2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol has a molecular weight of 277.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol is sourced from PubChem (CID 82982908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).