(1S)-1-(5-bromo-2-iodophenyl)ethanamine

C8H9BrIN — CID 130737837

IUPAC(1S)-1-(5-bromo-2-iodophenyl)ethanamine
SMILESC[C@H](N)c1cc(Br)ccc1I
InChIInChI=1S/C8H9BrIN/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5H,11H2,1H3/t5-/m0/s1
InChIKeyNIUKVVPFLLODRC-YFKPBYRVSA-N
MW325.98 g/mol
LogP3.07
Rot. Bonds1

About (1S)-1-(5-bromo-2-iodophenyl)ethanamine

(1S)-1-(5-bromo-2-iodophenyl)ethanamine (PubChem CID 130737837) has the molecular formula C8H9BrIN and a molecular weight of 325.98 g/mol. Its IUPAC name is (1S)-1-(5-bromo-2-iodophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-bromo-2-iodophenyl)ethanamine
PubChem CID130737837
Molecular FormulaC8H9BrIN
Molecular Weight325.98 g/mol
Exact Mass324.90
IUPAC Name(1S)-1-(5-bromo-2-iodophenyl)ethanamine
SMILESC[C@H](N)c1cc(Br)ccc1I
InChIInChI=1S/C8H9BrIN/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5H,11H2,1H3/t5-/m0/s1
InChIKeyNIUKVVPFLLODRC-YFKPBYRVSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.98
LogP ≤ 53.07
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

1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
(1R)-1-(5-bromo-2-iodophenyl)-2,2,2-trifluoroethanamine
CID 131123838
(3R)-3-amino-3-(5-bromo-2-iodophenyl)propanenitrile
CID 131218502
1-(5-bromo-2-iodophenyl)-5,5-dimethylhexan-1-amine
CID 114211015
(1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 78936916
2-(1-aminoethyl)-4-bromobenzamide
CID 70087597
2-[bromo-(5-bromo-2-iodophenyl)methyl]-1,4-dimethylbenzene
CID 114033427
1-(3-bromo-4-iodophenyl)ethanamine
CID 126971704
1-[5-bromo-2-(3-methylbutylsulfanyl)phenyl]ethanamine
CID 107750896
1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
CID 65365311
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 82976372
1-(5-bromo-2-butylsulfanylphenyl)ethanamine
CID 82969612

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-2-iodophenyl)ethanamine?
The IUPAC name of (1S)-1-(5-bromo-2-iodophenyl)ethanamine (CID 130737837) is (1S)-1-(5-bromo-2-iodophenyl)ethanamine.
What is the SMILES notation for (1S)-1-(5-bromo-2-iodophenyl)ethanamine?
The canonical SMILES for (1S)-1-(5-bromo-2-iodophenyl)ethanamine is C[C@H](N)c1cc(Br)ccc1I.
What is the InChIKey of (1S)-1-(5-bromo-2-iodophenyl)ethanamine?
The InChIKey is NIUKVVPFLLODRC-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9BrIN/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5H,11H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(5-bromo-2-iodophenyl)ethanamine?
(1S)-1-(5-bromo-2-iodophenyl)ethanamine has a molecular weight of 325.98 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromo-2-iodophenyl)ethanamine is sourced from PubChem (CID 130737837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).