(3-bromophenyl)methanamine;hydroiodide

C7H9BrIN — CID 175169219

IUPAC(3-bromophenyl)methanamine;hydroiodide
SMILESI.NCc1cccc(Br)c1
InChIInChI=1S/C7H8BrN.HI/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H
InChIKeyVWGQDSIFQVQYIP-UHFFFAOYSA-N
MW313.96 g/mol
LogP2.53
Rot. Bonds1

About (3-bromophenyl)methanamine;hydroiodide

(3-bromophenyl)methanamine;hydroiodide (PubChem CID 175169219) has the molecular formula C7H9BrIN and a molecular weight of 313.96 g/mol. Its IUPAC name is (3-bromophenyl)methanamine;hydroiodide.

Molecular Properties

Compound Name(3-bromophenyl)methanamine;hydroiodide
PubChem CID175169219
Molecular FormulaC7H9BrIN
Molecular Weight313.96 g/mol
Exact Mass312.90
IUPAC Name(3-bromophenyl)methanamine;hydroiodide
SMILESI.NCc1cccc(Br)c1
InChIInChI=1S/C7H8BrN.HI/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H
InChIKeyVWGQDSIFQVQYIP-UHFFFAOYSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.96
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)methanamine;hydroiodide?
The IUPAC name of (3-bromophenyl)methanamine;hydroiodide (CID 175169219) is (3-bromophenyl)methanamine;hydroiodide.
What is the SMILES notation for (3-bromophenyl)methanamine;hydroiodide?
The canonical SMILES for (3-bromophenyl)methanamine;hydroiodide is I.NCc1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)methanamine;hydroiodide?
The InChIKey is VWGQDSIFQVQYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN.HI/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H.
What are the key properties of (3-bromophenyl)methanamine;hydroiodide?
(3-bromophenyl)methanamine;hydroiodide has a molecular weight of 313.96 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)methanamine;hydroiodide is sourced from PubChem (CID 175169219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).