1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine

C14H22FN3 — CID 63163789

IUPAC1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC(N)c1cc(F)ccc1N1CCC(N(C)C)C1
InChIInChI=1S/C14H22FN3/c1-10(16)13-8-11(15)4-5-14(13)18-7-6-12(9-18)17(2)3/h4-5,8,10,12H,6-7,9,16H2,1-3H3
InChIKeyGNBUSPKYWKIDIO-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.99
Rot. Bonds3

About 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63163789) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63163789
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC(N)c1cc(F)ccc1N1CCC(N(C)C)C1
InChIInChI=1S/C14H22FN3/c1-10(16)13-8-11(15)4-5-14(13)18-7-6-12(9-18)17(2)3/h4-5,8,10,12H,6-7,9,16H2,1-3H3
InChIKeyGNBUSPKYWKIDIO-UHFFFAOYSA-N
XLogP1.99
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-4-fluorophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164395
1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
CID 102958910
(1R)-1-[2-[4-(dimethylamino)piperidin-1-yl]-5-fluorophenyl]ethanol
CID 55184659
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464769
1-[2-(1-aminoethyl)-4-fluorophenyl]pyrrolidine-3,4-diol
CID 106669964
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
(1S)-1-[5-fluoro-2-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78930853
(1S)-1-[5-fluoro-2-(2-methylthiomorpholin-4-yl)phenyl]ethanamine
CID 104871226
2-[3-(dimethylamino)pyrrolidin-1-yl]-5-fluorobenzenecarbothioamide
CID 63673755
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937427
(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587289

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine (CID 63163789) is 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine is CC(N)c1cc(F)ccc1N1CCC(N(C)C)C1.
What is the InChIKey of 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is GNBUSPKYWKIDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-10(16)13-8-11(15)4-5-14(13)18-7-6-12(9-18)17(2)3/h4-5,8,10,12H,6-7,9,16H2,1-3H3.
What are the key properties of 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 251.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63163789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).