2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol

C15H21FN2O — CID 63068697

IUPAC2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol
SMILESCC(NC1CCN(C2CC2)C1)c1ccc(F)cc1O
InChIInChI=1S/C15H21FN2O/c1-10(14-5-2-11(16)8-15(14)19)17-12-6-7-18(9-12)13-3-4-13/h2,5,8,10,12-13,17,19H,3-4,6-7,9H2,1H3
InChIKeyJNJXXXNIAKGKPL-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.42
Rot. Bonds4

About 2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol

2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol (PubChem CID 63068697) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol
PubChem CID63068697
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol
SMILESCC(NC1CCN(C2CC2)C1)c1ccc(F)cc1O
InChIInChI=1S/C15H21FN2O/c1-10(14-5-2-11(16)8-15(14)19)17-12-6-7-18(9-12)13-3-4-13/h2,5,8,10,12-13,17,19H,3-4,6-7,9H2,1H3
InChIKeyJNJXXXNIAKGKPL-UHFFFAOYSA-N
XLogP2.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 63066713
4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 43747094
5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol
CID 55145915
2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol
CID 63066951
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine
CID 81379064
5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol
CID 104582755
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879
1-cyclopropyl-N-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 81350444
N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949716
1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81364151
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81296909

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol (CID 63068697) is 2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol is CC(NC1CCN(C2CC2)C1)c1ccc(F)cc1O.
What is the InChIKey of 2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol?
The InChIKey is JNJXXXNIAKGKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10(14-5-2-11(16)8-15(14)19)17-12-6-7-18(9-12)13-3-4-13/h2,5,8,10,12-13,17,19H,3-4,6-7,9H2,1H3.
What are the key properties of 2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol?
2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol has a molecular weight of 264.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol is sourced from PubChem (CID 63068697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).