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

C10H13BrIN — CID 130883143

IUPAC(1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1cc(I)ccc1Br
InChIInChI=1S/C10H13BrIN/c1-6(2)10(13)8-5-7(12)3-4-9(8)11/h3-6,10H,13H2,1-2H3/t10-/m1/s1
InChIKeyJRRHXKLWPYWTDZ-SNVBAGLBSA-N
MW354.03 g/mol
LogP3.71
Rot. Bonds2

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

(1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine (PubChem CID 130883143) has the molecular formula C10H13BrIN and a molecular weight of 354.03 g/mol. Its IUPAC name is (1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine
PubChem CID130883143
Molecular FormulaC10H13BrIN
Molecular Weight354.03 g/mol
Exact Mass352.93
IUPAC Name(1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine
SMILESCC(C)[C@@H](N)c1cc(I)ccc1Br
InChIInChI=1S/C10H13BrIN/c1-6(2)10(13)8-5-7(12)3-4-9(8)11/h3-6,10H,13H2,1-2H3/t10-/m1/s1
InChIKeyJRRHXKLWPYWTDZ-SNVBAGLBSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.03
LogP ≤ 53.71
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

(1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine
CID 130782192
(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine
CID 131010900
(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine
CID 131075545
(1S)-1-(2-bromo-5-fluorophenyl)-2-methylpropan-1-amine
CID 131093124
(1S)-1-(2-bromo-5-iodophenyl)propan-1-amine
CID 130713970
1-(2-bromo-5-iodophenyl)-5,5-dimethylhexan-1-amine
CID 114210895
1-(2,3-dibromophenyl)-2-methylpropan-1-amine
CID 130000512
3-amino-3-(2-bromo-5-iodophenyl)propanenitrile
CID 130000376
(2R)-1-(2-bromo-5-iodophenyl)propan-2-amine
CID 130617491
(1S,2S)-1-amino-1-(5-iodo-2-methylphenyl)propan-2-ol
CID 130701477
(1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine
CID 130628960
2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline
CID 130042651

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine (CID 130883143) is (1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine is CC(C)[C@@H](N)c1cc(I)ccc1Br.
What is the InChIKey of (1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine?
The InChIKey is JRRHXKLWPYWTDZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13BrIN/c1-6(2)10(13)8-5-7(12)3-4-9(8)11/h3-6,10H,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine?
(1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine has a molecular weight of 354.03 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 130883143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).