4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol

C13H18FNO — CID 82982569

IUPAC4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol
SMILESCC1CCN(C(C)c2cc(F)ccc2O)C1
InChIInChI=1S/C13H18FNO/c1-9-5-6-15(8-9)10(2)12-7-11(14)3-4-13(12)16/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChIKeyDDWAXXQGMVHBOS-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.93
Rot. Bonds2

About 4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol

4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol (PubChem CID 82982569) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol
PubChem CID82982569
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol
SMILESCC1CCN(C(C)c2cc(F)ccc2O)C1
InChIInChI=1S/C13H18FNO/c1-9-5-6-15(8-9)10(2)12-7-11(14)3-4-13(12)16/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChIKeyDDWAXXQGMVHBOS-UHFFFAOYSA-N
XLogP2.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.93
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-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol
CID 82980165
2-[1-(3-ethylpyrrolidin-1-yl)ethyl]-4-fluorophenol
CID 113419566
2-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol
CID 82979937
4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol
CID 82977201
2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-4-fluorophenol
CID 82974953
2-[1-(4-tert-butylazepan-1-yl)ethyl]-4-fluorophenol
CID 82965409
1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 61226994
1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917481
(3S)-1-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124512163
2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol
CID 82979180
1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol
CID 110900453
2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol
CID 82980035

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol?
The IUPAC name of 4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol (CID 82982569) is 4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol?
The canonical SMILES for 4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol is CC1CCN(C(C)c2cc(F)ccc2O)C1.
What is the InChIKey of 4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol?
The InChIKey is DDWAXXQGMVHBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-5-6-15(8-9)10(2)12-7-11(14)3-4-13(12)16/h3-4,7,9-10,16H,5-6,8H2,1-2H3.
What are the key properties of 4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol?
4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol has a molecular weight of 223.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol is sourced from PubChem (CID 82982569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).