1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine

C16H26FN3 — CID 63171490

IUPAC1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C(CN)c2ccc(F)cc2)C1
InChIInChI=1S/C16H26FN3/c1-3-19(4-2)15-9-10-20(12-15)16(11-18)13-5-7-14(17)8-6-13/h5-8,15-16H,3-4,9-12,18H2,1-2H3
InChIKeyPDJVPISRUGTEMG-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.24
Rot. Bonds6

About 1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine

1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 63171490) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID63171490
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C(CN)c2ccc(F)cc2)C1
InChIInChI=1S/C16H26FN3/c1-3-19(4-2)15-9-10-20(12-15)16(11-18)13-5-7-14(17)8-6-13/h5-8,15-16H,3-4,9-12,18H2,1-2H3
InChIKeyPDJVPISRUGTEMG-UHFFFAOYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(4-fluoro-2-methylphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63172035
2-(4-fluorophenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79175047
2-(3-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 54985150
1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166318
2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 62089855
1-[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 115989994
2-(2-ethylmorpholin-4-yl)-2-(4-fluorophenyl)ethanamine
CID 43562409
N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine
CID 63166626
2-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol
CID 82979937
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine
CID 115524400
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 63156191

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine (CID 63171490) is 1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(C(CN)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is PDJVPISRUGTEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-3-19(4-2)15-9-10-20(12-15)16(11-18)13-5-7-14(17)8-6-13/h5-8,15-16H,3-4,9-12,18H2,1-2H3.
What are the key properties of 1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine?
1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 279.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63171490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).