2-(4-bromophenyl)propan-2-amine;hydroiodide

C9H13BrIN — CID 163210830

IUPAC2-(4-bromophenyl)propan-2-amine;hydroiodide
SMILESCC(C)(N)c1ccc(Br)cc1.I
InChIInChI=1S/C9H12BrN.HI/c1-9(2,11)7-3-5-8(10)6-4-7;/h3-6H,11H2,1-2H3;1H
InChIKeyIBNQRDJKUZLNPT-UHFFFAOYSA-N
MW342.02 g/mol
LogP3.26
Rot. Bonds1

About 2-(4-bromophenyl)propan-2-amine;hydroiodide

2-(4-bromophenyl)propan-2-amine;hydroiodide (PubChem CID 163210830) has the molecular formula C9H13BrIN and a molecular weight of 342.02 g/mol. Its IUPAC name is 2-(4-bromophenyl)propan-2-amine;hydroiodide.

Molecular Properties

Compound Name2-(4-bromophenyl)propan-2-amine;hydroiodide
PubChem CID163210830
Molecular FormulaC9H13BrIN
Molecular Weight342.02 g/mol
Exact Mass340.93
IUPAC Name2-(4-bromophenyl)propan-2-amine;hydroiodide
SMILESCC(C)(N)c1ccc(Br)cc1.I
InChIInChI=1S/C9H12BrN.HI/c1-9(2,11)7-3-5-8(10)6-4-7;/h3-6H,11H2,1-2H3;1H
InChIKeyIBNQRDJKUZLNPT-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.02
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-3-methylbutan-2-amine;hydrochloride
CID 75525874
2-(4-fluorophenyl)propan-2-amine
CID 13025665
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
2-(4-bromophenyl)propane-2-thiol
CID 21489042
CID 123503205
CID 123503205
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
[(4-bromophenyl)-bis(trimethylsilyl)methyl]-trimethylsilane
CID 552187
1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 55186959
2-[4-(chloromethyl)phenyl]propan-2-amine
CID 59036777
2-(4-bromophenyl)-2-methylpropanal
CID 10013947
1-bromo-4-(1,1-dimethoxyethyl)benzene
CID 10911782
(2R)-2-(4-bromophenyl)-5,5,5-trifluoro-4,4-dimethylpentan-2-amine
CID 157332352

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)propan-2-amine;hydroiodide?
The IUPAC name of 2-(4-bromophenyl)propan-2-amine;hydroiodide (CID 163210830) is 2-(4-bromophenyl)propan-2-amine;hydroiodide.
What is the SMILES notation for 2-(4-bromophenyl)propan-2-amine;hydroiodide?
The canonical SMILES for 2-(4-bromophenyl)propan-2-amine;hydroiodide is CC(C)(N)c1ccc(Br)cc1.I.
What is the InChIKey of 2-(4-bromophenyl)propan-2-amine;hydroiodide?
The InChIKey is IBNQRDJKUZLNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN.HI/c1-9(2,11)7-3-5-8(10)6-4-7;/h3-6H,11H2,1-2H3;1H.
What are the key properties of 2-(4-bromophenyl)propan-2-amine;hydroiodide?
2-(4-bromophenyl)propan-2-amine;hydroiodide has a molecular weight of 342.02 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)propan-2-amine;hydroiodide is sourced from PubChem (CID 163210830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).