[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine

C12H16BrFN2 — CID 43438736

IUPAC[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2/c13-10-4-3-9(12(14)6-10)8-16-5-1-2-11(16)7-15/h3-4,6,11H,1-2,5,7-8,15H2
InChIKeyFUOGECLTCKJNBR-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.51
Rot. Bonds3

About [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine

[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 43438736) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID43438736
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2/c13-10-4-3-9(12(14)6-10)8-16-5-1-2-11(16)7-15/h3-4,6,11H,1-2,5,7-8,15H2
InChIKeyFUOGECLTCKJNBR-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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Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine (CID 43438736) is [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine is NCC1CCCN1Cc1ccc(Br)cc1F.
What is the InChIKey of [1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is FUOGECLTCKJNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c13-10-4-3-9(12(14)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-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine?
[1-[(4-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-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 43438736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).