(2R)-1-(2-bromo-5-iodophenyl)propan-2-amine

C9H11BrIN — CID 130617491

IUPAC(2R)-1-(2-bromo-5-iodophenyl)propan-2-amine
SMILESC[C@@H](N)Cc1cc(I)ccc1Br
InChIInChI=1S/C9H11BrIN/c1-6(12)4-7-5-8(11)2-3-9(7)10/h2-3,5-6H,4,12H2,1H3/t6-/m1/s1
InChIKeyZQQFISAWFXSJMT-ZCFIWIBFSA-N
MW340.00 g/mol
LogP2.94
Rot. Bonds2

About (2R)-1-(2-bromo-5-iodophenyl)propan-2-amine

(2R)-1-(2-bromo-5-iodophenyl)propan-2-amine (PubChem CID 130617491) has the molecular formula C9H11BrIN and a molecular weight of 340.00 g/mol. Its IUPAC name is (2R)-1-(2-bromo-5-iodophenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-bromo-5-iodophenyl)propan-2-amine
PubChem CID130617491
Molecular FormulaC9H11BrIN
Molecular Weight340.00 g/mol
Exact Mass338.91
IUPAC Name(2R)-1-(2-bromo-5-iodophenyl)propan-2-amine
SMILESC[C@@H](N)Cc1cc(I)ccc1Br
InChIInChI=1S/C9H11BrIN/c1-6(12)4-7-5-8(11)2-3-9(7)10/h2-3,5-6H,4,12H2,1H3/t6-/m1/s1
InChIKeyZQQFISAWFXSJMT-ZCFIWIBFSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.00
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-1-(2-bromo-5-iodophenyl)propan-2-amine 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

1-(2,5-dibromophenyl)propan-2-amine
CID 84739331
1-(5-iodo-2-methylphenyl)propan-2-amine
CID 130041396
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
2-(2-aminopropyl)-4-iodo-6-methylphenol
CID 14265625
(1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine
CID 130883143
(2S)-1-(2-bromo-4-methylphenyl)propan-2-amine
CID 131058214
1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine
CID 82930684
(1S)-1-(2-bromo-5-iodophenyl)propan-1-amine
CID 130713970
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 102858124
(2S)-1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 130658227
1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 117378215

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-bromo-5-iodophenyl)propan-2-amine?
The IUPAC name of (2R)-1-(2-bromo-5-iodophenyl)propan-2-amine (CID 130617491) is (2R)-1-(2-bromo-5-iodophenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(2-bromo-5-iodophenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(2-bromo-5-iodophenyl)propan-2-amine is C[C@@H](N)Cc1cc(I)ccc1Br.
What is the InChIKey of (2R)-1-(2-bromo-5-iodophenyl)propan-2-amine?
The InChIKey is ZQQFISAWFXSJMT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11BrIN/c1-6(12)4-7-5-8(11)2-3-9(7)10/h2-3,5-6H,4,12H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-(2-bromo-5-iodophenyl)propan-2-amine?
(2R)-1-(2-bromo-5-iodophenyl)propan-2-amine has a molecular weight of 340.00 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-bromo-5-iodophenyl)propan-2-amine is sourced from PubChem (CID 130617491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).