3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine

C18H29FN2 — CID 115997005

IUPAC3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine
SMILESCCC1(CC)CCN(CC(C)C(N)c2ccccc2F)C1
InChIInChI=1S/C18H29FN2/c1-4-18(5-2)10-11-21(13-18)12-14(3)17(20)15-8-6-7-9-16(15)19/h6-9,14,17H,4-5,10-13,20H2,1-3H3
InChIKeyZJAUEUXGTIYVSG-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.97
Rot. Bonds6

About 3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine

3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 115997005) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine
PubChem CID115997005
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine
SMILESCCC1(CC)CCN(CC(C)C(N)c2ccccc2F)C1
InChIInChI=1S/C18H29FN2/c1-4-18(5-2)10-11-21(13-18)12-14(3)17(20)15-8-6-7-9-16(15)19/h6-9,14,17H,4-5,10-13,20H2,1-3H3
InChIKeyZJAUEUXGTIYVSG-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-methyl-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 112679785
2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine
CID 107521756
2-(3,3-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
CID 114058293
3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63160173
1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine
CID 115996985
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine
CID 115996978
N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679793
1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 63156273
(1S)-1-[2-(4,4-diethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78936860
1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 115997045
1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 114058299
1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 63161280

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine (CID 115997005) is 3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine is CCC1(CC)CCN(CC(C)C(N)c2ccccc2F)C1.
What is the InChIKey of 3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is ZJAUEUXGTIYVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-18(5-2)10-11-21(13-18)12-14(3)17(20)15-8-6-7-9-16(15)19/h6-9,14,17H,4-5,10-13,20H2,1-3H3.
What are the key properties of 3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine?
3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115997005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).