[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine

C12H16BrFN2 — CID 43187006

IUPAC[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2/c13-10-3-4-12(14)9(6-10)8-16-5-1-2-11(16)7-15/h3-4,6,11H,1-2,5,7-8,15H2
InChIKeyKZYIQXFYBVOQFD-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.51
Rot. Bonds3

About [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine

[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 43187006) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID43187006
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2/c13-10-3-4-12(14)9(6-10)8-16-5-1-2-11(16)7-15/h3-4,6,11H,1-2,5,7-8,15H2
InChIKeyKZYIQXFYBVOQFD-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926963
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62581260
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 62581106
1-[1-[(5-bromo-2-fluorophenyl)methyl]azepan-2-yl]propan-2-ol
CID 114338762
3-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-4-fluorobenzamide
CID 113284506
N-[[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 62580390
[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926966
1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55170113
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 60584720
1-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273349
[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909746
[1-[(4-bromo-2-nitrophenyl)methyl]piperidin-2-yl]methanamine
CID 114382185

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine (CID 43187006) is [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine is NCC1CCCN1Cc1cc(Br)ccc1F.
What is the InChIKey of [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is KZYIQXFYBVOQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c13-10-3-4-12(14)9(6-10)8-16-5-1-2-11(16)7-15/h3-4,6,11H,1-2,5,7-8,15H2.
What are the key properties of [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine?
[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 287.18 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 43187006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).