1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine

C13H18FN — CID 146164632

IUPAC1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine
SMILESCC1CCC(C)N1Cc1cccc(F)c1
InChIInChI=1S/C13H18FN/c1-10-6-7-11(2)15(10)9-12-4-3-5-13(14)8-12/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyBKPCPVWDUBNEGQ-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.20
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine

1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine (PubChem CID 146164632) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine
PubChem CID146164632
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine
SMILESCC1CCC(C)N1Cc1cccc(F)c1
InChIInChI=1S/C13H18FN/c1-10-6-7-11(2)15(10)9-12-4-3-5-13(14)8-12/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyBKPCPVWDUBNEGQ-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 129393398
1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79398659
[3-[(2,6-dimethylpiperidin-1-yl)methyl]-5-fluorophenyl]boronic acid
CID 79709750
9-[(3-fluorophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712012
1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 63254271
1-[(3-fluorophenyl)methyl]-2-(methoxymethyl)piperidine
CID 136545800
3-[(2,6-dimethylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 43185042
(1S,5R)-9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 67845868
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
5-[(3-fluorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 131658032
4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine
CID 22199602

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine (CID 146164632) is 1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine is CC1CCC(C)N1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine?
The InChIKey is BKPCPVWDUBNEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10-6-7-11(2)15(10)9-12-4-3-5-13(14)8-12/h3-5,8,10-11H,6-7,9H2,1-2H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine?
1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine has a molecular weight of 207.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine is sourced from PubChem (CID 146164632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).