2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine

C17H27FN2 — CID 114831676

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
SMILESCCC1CCC(C)N1C(C)(CN)Cc1ccccc1F
InChIInChI=1S/C17H27FN2/c1-4-15-10-9-13(2)20(15)17(3,12-19)11-14-7-5-6-8-16(14)18/h5-8,13,15H,4,9-12,19H2,1-3H3
InChIKeySJNFTADAOQUAAG-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.35
Rot. Bonds5

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine

2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 114831676) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
PubChem CID114831676
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
SMILESCCC1CCC(C)N1C(C)(CN)Cc1ccccc1F
InChIInChI=1S/C17H27FN2/c1-4-15-10-9-13(2)20(15)17(3,12-19)11-14-7-5-6-8-16(14)18/h5-8,13,15H,4,9-12,19H2,1-3H3
InChIKeySJNFTADAOQUAAG-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
CID 114831591
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2,4-dimethylpentan-1-amine
CID 83226985
3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine
CID 114831349
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
2-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
CID 83218867
2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
CID 114831138
[2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-fluorophenyl]methanamine
CID 83227227
2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine
CID 83228170
3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol
CID 114835046
2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831506
1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110671110

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine (CID 114831676) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine is CCC1CCC(C)N1C(C)(CN)Cc1ccccc1F.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is SJNFTADAOQUAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-15-10-9-13(2)20(15)17(3,12-19)11-14-7-5-6-8-16(14)18/h5-8,13,15H,4,9-12,19H2,1-3H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 114831676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).