5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine

C18H22FN3 — CID 77084244

IUPAC5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(CN2CCC(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H22FN3/c1-21(2)18-8-3-14(11-20-18)12-22-10-9-16(13-22)15-4-6-17(19)7-5-15/h3-8,11,16H,9-10,12-13H2,1-2H3
InChIKeyLNXSTAZHGVZVIQ-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.28
Rot. Bonds4

About 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine

5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 77084244) has the molecular formula C18H22FN3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID77084244
Molecular FormulaC18H22FN3
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(CN2CCC(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H22FN3/c1-21(2)18-8-3-14(11-20-18)12-22-10-9-16(13-22)15-4-6-17(19)7-5-15/h3-8,11,16H,9-10,12-13H2,1-2H3
InChIKeyLNXSTAZHGVZVIQ-UHFFFAOYSA-N
XLogP3.28
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 77097083
2-ethylsulfanyl-5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyrimidine
CID 74240292
1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one
CID 77089729
(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
CID 99943201
5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77088674
5-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-N,N-dimethylpyridin-2-amine
CID 154571202
(3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine
CID 95869700
3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 172891629
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120837821

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine (CID 77084244) is 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(CN2CCC(c3ccc(F)cc3)C2)cn1.
What is the InChIKey of 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is LNXSTAZHGVZVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3/c1-21(2)18-8-3-14(11-20-18)12-22-10-9-16(13-22)15-4-6-17(19)7-5-15/h3-8,11,16H,9-10,12-13H2,1-2H3.
What are the key properties of 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 299.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 77084244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).