5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol

C15H22FNO — CID 82982794

IUPAC5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol
SMILESCC(C)C1CCCN1C(C)c1ccc(F)cc1O
InChIInChI=1S/C15H22FNO/c1-10(2)14-5-4-8-17(14)11(3)13-7-6-12(16)9-15(13)18/h6-7,9-11,14,18H,4-5,8H2,1-3H3
InChIKeyHMFKNFQGTYPZFQ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.71
Rot. Bonds3

About 5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol

5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol (PubChem CID 82982794) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol
PubChem CID82982794
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol
SMILESCC(C)C1CCCN1C(C)c1ccc(F)cc1O
InChIInChI=1S/C15H22FNO/c1-10(2)14-5-4-8-17(14)11(3)13-7-6-12(16)9-15(13)18/h6-7,9-11,14,18H,4-5,8H2,1-3H3
InChIKeyHMFKNFQGTYPZFQ-UHFFFAOYSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.71
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

5-fluoro-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974867
2-[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethyl]-5-fluorophenol
CID 82985649
5-fluoro-2-[1-(4-methyl-1,4-diazepan-1-yl)ethyl]phenol
CID 82974158
2-[1-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-5-fluorophenol
CID 103542218
5-methyl-2-[1-(2-methylpyrrolidin-1-yl)ethyl]phenol
CID 82982334
2-[1-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-5-fluorophenol
CID 82976686
2-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-5-fluorophenol
CID 104961921
1-[1-(4-fluoro-2-hydroxyphenyl)ethyl]azetidine-3-carboxylic acid
CID 65072301
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 3931904
(5-fluoro-2-hydroxyphenyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 113281661
1-[1-(2-chloro-4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056523
2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol
CID 82980035

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol (CID 82982794) is 5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol is CC(C)C1CCCN1C(C)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol?
The InChIKey is HMFKNFQGTYPZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10(2)14-5-4-8-17(14)11(3)13-7-6-12(16)9-15(13)18/h6-7,9-11,14,18H,4-5,8H2,1-3H3.
What are the key properties of 5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol?
5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol has a molecular weight of 251.34 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenol is sourced from PubChem (CID 82982794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).