bromo(phenyl)methanamine;hydroiodide

C7H9BrIN — CID 175393432

IUPACbromo(phenyl)methanamine;hydroiodide
SMILESI.NC(Br)c1ccccc1
InChIInChI=1S/C7H8BrN.HI/c8-7(9)6-4-2-1-3-5-6;/h1-5,7H,9H2;1H
InChIKeySTOLMJRBGVTRSU-UHFFFAOYSA-N
MW313.96 g/mol
LogP2.66
Rot. Bonds1

About bromo(phenyl)methanamine;hydroiodide

bromo(phenyl)methanamine;hydroiodide (PubChem CID 175393432) has the molecular formula C7H9BrIN and a molecular weight of 313.96 g/mol. Its IUPAC name is bromo(phenyl)methanamine;hydroiodide.

Molecular Properties

Compound Namebromo(phenyl)methanamine;hydroiodide
PubChem CID175393432
Molecular FormulaC7H9BrIN
Molecular Weight313.96 g/mol
Exact Mass312.90
IUPAC Namebromo(phenyl)methanamine;hydroiodide
SMILESI.NC(Br)c1ccccc1
InChIInChI=1S/C7H8BrN.HI/c8-7(9)6-4-2-1-3-5-6;/h1-5,7H,9H2;1H
InChIKeySTOLMJRBGVTRSU-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze bromo(phenyl)methanamine;hydroiodide with MolForge

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

Launch Full Analysis

Related Compounds

[(1R,2R)-1,2-dibromo-2-phenylethyl]benzene
CID 3010073
[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene
CID 10969851
1-bromo-1-phenylpropan-2-amine
CID 12709385
bromo-(4-methylphenyl)methanamine
CID 22286716
1-bromoethylbenzene
CID 11454
(2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol
CID 10988050
(1S)-1-amino-2-phenylpropan-1-ol
CID 130442875
diphenylmethanamine;methanethiol
CID 143873840
1,2,3-triphenylpropane-1,3-diamine
CID 67052848
ethane;(1R)-1-phenylethanamine
CID 142977390
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614
(1R,2R)-2-fluoro-1,2-diphenylethanamine
CID 12617058

Frequently Asked Questions

What is the IUPAC name of bromo(phenyl)methanamine;hydroiodide?
The IUPAC name of bromo(phenyl)methanamine;hydroiodide (CID 175393432) is bromo(phenyl)methanamine;hydroiodide.
What is the SMILES notation for bromo(phenyl)methanamine;hydroiodide?
The canonical SMILES for bromo(phenyl)methanamine;hydroiodide is I.NC(Br)c1ccccc1.
What is the InChIKey of bromo(phenyl)methanamine;hydroiodide?
The InChIKey is STOLMJRBGVTRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN.HI/c8-7(9)6-4-2-1-3-5-6;/h1-5,7H,9H2;1H.
What are the key properties of bromo(phenyl)methanamine;hydroiodide?
bromo(phenyl)methanamine;hydroiodide has a molecular weight of 313.96 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(phenyl)methanamine;hydroiodide is sourced from PubChem (CID 175393432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).