1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine

C14H22FN3 — CID 63168224

IUPAC1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2cccc(F)c2N)C1
InChIInChI=1S/C14H22FN3/c1-3-17(4-2)11-8-9-18(10-11)13-7-5-6-12(15)14(13)16/h5-7,11H,3-4,8-10,16H2,1-2H3
InChIKeyOLZCLVDABDWEHO-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.33
Rot. Bonds4

About 1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine

1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 63168224) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine
PubChem CID63168224
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2cccc(F)c2N)C1
InChIInChI=1S/C14H22FN3/c1-3-17(4-2)11-8-9-18(10-11)13-7-5-6-12(15)14(13)16/h5-7,11H,3-4,8-10,16H2,1-2H3
InChIKeyOLZCLVDABDWEHO-UHFFFAOYSA-N
XLogP2.33
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 63369298
2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzoic acid
CID 115546052
2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide
CID 115546054
N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine
CID 63170648
1-[2-(2-aminoethyl)-3-chlorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 63784820
1-(3-aminophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168616
[1-(2-amino-3-fluorophenyl)piperidin-4-yl]methanol
CID 60790060
1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one
CID 115994623
N,N-diethyl-1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrrolidin-3-amine
CID 63164577
1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 107532368
2-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]benzenecarboximidamide
CID 63170372
2-fluoro-6-(3-morpholin-4-ylpyrrolidin-1-yl)aniline
CID 63168190

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine (CID 63168224) is 1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(c2cccc(F)c2N)C1.
What is the InChIKey of 1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is OLZCLVDABDWEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-3-17(4-2)11-8-9-18(10-11)13-7-5-6-12(15)14(13)16/h5-7,11H,3-4,8-10,16H2,1-2H3.
What are the key properties of 1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine?
1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 251.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63168224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).