3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine

C16H25FN2 — CID 55160971

IUPAC3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCCC1(C)C)c1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-16(2)9-5-10-19(16)11-8-15(18-3)13-6-4-7-14(17)12-13/h4,6-7,12,15,18H,5,8-11H2,1-3H3
InChIKeyNDPJIXDANKOBJF-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.35
Rot. Bonds5

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

3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 55160971) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
PubChem CID55160971
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCCC1(C)C)c1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-16(2)9-5-10-19(16)11-8-15(18-3)13-6-4-7-14(17)12-13/h4,6-7,12,15,18H,5,8-11H2,1-3H3
InChIKeyNDPJIXDANKOBJF-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 62645529
1-(3-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 63494166
1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 63624690
1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol
CID 62943222
3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 62644421
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79933339
1-(3,4-dimethylphenyl)-2-(2,2-dimethylpyrrolidin-1-yl)-N-methylethanamine
CID 63220037
1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropan-1-amine
CID 82781367
1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83046131
3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol
CID 55162523
2-(2,2-dimethylpyrrolidin-1-yl)-N-methyl-1-naphthalen-2-ylethanamine
CID 63219539
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine (CID 55160971) is 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine is CNC(CCN1CCCC1(C)C)c1cccc(F)c1.
What is the InChIKey of 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is NDPJIXDANKOBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-16(2)9-5-10-19(16)11-8-15(18-3)13-6-4-7-14(17)12-13/h4,6-7,12,15,18H,5,8-11H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine?
3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 264.39 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 3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 55160971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).