[1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine

C15H22FN3 — CID 117006052

IUPAC[1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(C2CCN(c3cccc(F)c3)C2)C1
InChIInChI=1S/C15H22FN3/c16-13-2-1-3-14(8-13)19-7-5-15(11-19)18-6-4-12(9-17)10-18/h1-3,8,12,15H,4-7,9-11,17H2
InChIKeyGUAAZCDXRHZHRJ-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.68
Rot. Bonds3

About [1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine

[1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine (PubChem CID 117006052) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is [1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine
PubChem CID117006052
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name[1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(C2CCN(c3cccc(F)c3)C2)C1
InChIInChI=1S/C15H22FN3/c16-13-2-1-3-14(8-13)19-7-5-15(11-19)18-6-4-12(9-17)10-18/h1-3,8,12,15H,4-7,9-11,17H2
InChIKeyGUAAZCDXRHZHRJ-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 24703960
3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid
CID 83981502
[1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine
CID 45184102
[1-[1-(2-bromophenyl)piperidin-4-yl]pyrrolidin-3-yl]methanamine
CID 117005645
1-[1-(3-bromophenyl)pyrrolidin-3-yl]pyrrolidine-3-carbonitrile
CID 117005994
3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168101
methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981517
N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine
CID 83981537
[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine
CID 87263242
[1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine
CID 62327372
[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 24703138
[1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine
CID 79766665

Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine (CID 117006052) is [1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine is NCC1CCN(C2CCN(c3cccc(F)c3)C2)C1.
What is the InChIKey of [1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is GUAAZCDXRHZHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c16-13-2-1-3-14(8-13)19-7-5-15(11-19)18-6-4-12(9-17)10-18/h1-3,8,12,15H,4-7,9-11,17H2.
What are the key properties of [1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine?
[1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 263.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3-fluorophenyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117006052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).