2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol

C11H14Br2N2O — CID 70566730

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol
SMILESNCC1CCCN1c1cc(Br)cc(Br)c1O
InChIInChI=1S/C11H14Br2N2O/c12-7-4-9(13)11(16)10(5-7)15-3-1-2-8(15)6-14/h4-5,8,16H,1-3,6,14H2
InChIKeyORLORZRYTDAGMY-UHFFFAOYSA-N
MW350.05 g/mol
LogP2.84
Rot. Bonds2

About 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol

2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol (PubChem CID 70566730) has the molecular formula C11H14Br2N2O and a molecular weight of 350.05 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol
PubChem CID70566730
Molecular FormulaC11H14Br2N2O
Molecular Weight350.05 g/mol
Exact Mass347.95
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol
SMILESNCC1CCCN1c1cc(Br)cc(Br)c1O
InChIInChI=1S/C11H14Br2N2O/c12-7-4-9(13)11(16)10(5-7)15-3-1-2-8(15)6-14/h4-5,8,16H,1-3,6,14H2
InChIKeyORLORZRYTDAGMY-UHFFFAOYSA-N
XLogP2.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol (CID 70566730) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol is NCC1CCCN1c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol?
The InChIKey is ORLORZRYTDAGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O/c12-7-4-9(13)11(16)10(5-7)15-3-1-2-8(15)6-14/h4-5,8,16H,1-3,6,14H2.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol?
2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol has a molecular weight of 350.05 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-4,6-dibromophenol is sourced from PubChem (CID 70566730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).