3,3-dibromo-2-phenylprop-2-en-1-amine

C9H9Br2N — CID 13320133

IUPAC3,3-dibromo-2-phenylprop-2-en-1-amine
SMILESNCC(=C(Br)Br)c1ccccc1
InChIInChI=1S/C9H9Br2N/c10-9(11)8(6-12)7-4-2-1-3-5-7/h1-5H,6,12H2
InChIKeyGSUWXWVUXJHQRL-UHFFFAOYSA-N
MW290.99 g/mol
LogP3.10
Rot. Bonds2

About 3,3-dibromo-2-phenylprop-2-en-1-amine

3,3-dibromo-2-phenylprop-2-en-1-amine (PubChem CID 13320133) has the molecular formula C9H9Br2N and a molecular weight of 290.99 g/mol. Its IUPAC name is 3,3-dibromo-2-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name3,3-dibromo-2-phenylprop-2-en-1-amine
PubChem CID13320133
Molecular FormulaC9H9Br2N
Molecular Weight290.99 g/mol
Exact Mass288.91
IUPAC Name3,3-dibromo-2-phenylprop-2-en-1-amine
SMILESNCC(=C(Br)Br)c1ccccc1
InChIInChI=1S/C9H9Br2N/c10-9(11)8(6-12)7-4-2-1-3-5-7/h1-5H,6,12H2
InChIKeyGSUWXWVUXJHQRL-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.99
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dibromo-2-phenylprop-2-en-1-amine?
The IUPAC name of 3,3-dibromo-2-phenylprop-2-en-1-amine (CID 13320133) is 3,3-dibromo-2-phenylprop-2-en-1-amine.
What is the SMILES notation for 3,3-dibromo-2-phenylprop-2-en-1-amine?
The canonical SMILES for 3,3-dibromo-2-phenylprop-2-en-1-amine is NCC(=C(Br)Br)c1ccccc1.
What is the InChIKey of 3,3-dibromo-2-phenylprop-2-en-1-amine?
The InChIKey is GSUWXWVUXJHQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2N/c10-9(11)8(6-12)7-4-2-1-3-5-7/h1-5H,6,12H2.
What are the key properties of 3,3-dibromo-2-phenylprop-2-en-1-amine?
3,3-dibromo-2-phenylprop-2-en-1-amine has a molecular weight of 290.99 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibromo-2-phenylprop-2-en-1-amine is sourced from PubChem (CID 13320133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).