2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine

C10H13Br2N — CID 143485456

IUPAC2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1cc(Br)cc(CBr)c1
InChIInChI=1S/C10H13Br2N/c1-10(2,13)8-3-7(6-11)4-9(12)5-8/h3-5H,6,13H2,1-2H3
InChIKeyCSOSNLWHRSIDPT-UHFFFAOYSA-N
MW307.03 g/mol
LogP3.54
Rot. Bonds2

About 2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine

2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine (PubChem CID 143485456) has the molecular formula C10H13Br2N and a molecular weight of 307.03 g/mol. Its IUPAC name is 2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine
PubChem CID143485456
Molecular FormulaC10H13Br2N
Molecular Weight307.03 g/mol
Exact Mass304.94
IUPAC Name2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1cc(Br)cc(CBr)c1
InChIInChI=1S/C10H13Br2N/c1-10(2,13)8-3-7(6-11)4-9(12)5-8/h3-5H,6,13H2,1-2H3
InChIKeyCSOSNLWHRSIDPT-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.03
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine?
The IUPAC name of 2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine (CID 143485456) is 2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine is CC(C)(N)c1cc(Br)cc(CBr)c1.
What is the InChIKey of 2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine?
The InChIKey is CSOSNLWHRSIDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N/c1-10(2,13)8-3-7(6-11)4-9(12)5-8/h3-5H,6,13H2,1-2H3.
What are the key properties of 2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine?
2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine has a molecular weight of 307.03 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine is sourced from PubChem (CID 143485456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).