2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol

C14H21FN2O — CID 82980165

IUPAC2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol
SMILESCC(c1cc(F)ccc1O)N1CCC(N(C)C)C1
InChIInChI=1S/C14H21FN2O/c1-10(13-8-11(15)4-5-14(13)18)17-7-6-12(9-17)16(2)3/h4-5,8,10,12,18H,6-7,9H2,1-3H3
InChIKeyQEOVOCWGNDKNKV-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.23
Rot. Bonds3

About 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol

2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol (PubChem CID 82980165) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol
PubChem CID82980165
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol
SMILESCC(c1cc(F)ccc1O)N1CCC(N(C)C)C1
InChIInChI=1S/C14H21FN2O/c1-10(13-8-11(15)4-5-14(13)18)17-7-6-12(9-17)16(2)3/h4-5,8,10,12,18H,6-7,9H2,1-3H3
InChIKeyQEOVOCWGNDKNKV-UHFFFAOYSA-N
XLogP2.23
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.23
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

2-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol
CID 82979937
2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-methylphenol
CID 82979180
4-fluoro-2-[1-(3-methylpyrrolidin-1-yl)ethyl]phenol
CID 82982569
2-[1-(3-ethylpyrrolidin-1-yl)ethyl]-4-fluorophenol
CID 113419566
2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]-4-fluorophenol
CID 82974953
4-fluoro-2-[1-(2-methylmorpholin-4-yl)ethyl]phenol
CID 82977201
2-[1-(4-tert-butylazepan-1-yl)ethyl]-4-fluorophenol
CID 82965409
[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79881812
1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164974
[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79523643
2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-methylphenol
CID 82977653
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163789

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol?
The IUPAC name of 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol (CID 82980165) is 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol.
What is the SMILES notation for 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol?
The canonical SMILES for 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol is CC(c1cc(F)ccc1O)N1CCC(N(C)C)C1.
What is the InChIKey of 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol?
The InChIKey is QEOVOCWGNDKNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(13-8-11(15)4-5-14(13)18)17-7-6-12(9-17)16(2)3/h4-5,8,10,12,18H,6-7,9H2,1-3H3.
What are the key properties of 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol?
2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol has a molecular weight of 252.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol is sourced from PubChem (CID 82980165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).