1-(5-bromo-2-iodophenyl)cyclopropan-1-amine

C9H9BrIN — CID 167713410

IUPAC1-(5-bromo-2-iodophenyl)cyclopropan-1-amine
SMILESNC1(c2cc(Br)ccc2I)CC1
InChIInChI=1S/C9H9BrIN/c10-6-1-2-8(11)7(5-6)9(12)3-4-9/h1-2,5H,3-4,12H2
InChIKeyPTUJPZPMGUILMX-UHFFFAOYSA-N
MW337.99 g/mol
LogP3.00
Rot. Bonds1

About 1-(5-bromo-2-iodophenyl)cyclopropan-1-amine

1-(5-bromo-2-iodophenyl)cyclopropan-1-amine (PubChem CID 167713410) has the molecular formula C9H9BrIN and a molecular weight of 337.99 g/mol. Its IUPAC name is 1-(5-bromo-2-iodophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-iodophenyl)cyclopropan-1-amine
PubChem CID167713410
Molecular FormulaC9H9BrIN
Molecular Weight337.99 g/mol
Exact Mass336.90
IUPAC Name1-(5-bromo-2-iodophenyl)cyclopropan-1-amine
SMILESNC1(c2cc(Br)ccc2I)CC1
InChIInChI=1S/C9H9BrIN/c10-6-1-2-8(11)7(5-6)9(12)3-4-9/h1-2,5H,3-4,12H2
InChIKeyPTUJPZPMGUILMX-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.99
LogP ≤ 53.00
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-methylsulfanylphenyl)cyclopropan-1-amine
CID 84805957
2-(1-aminocyclopentyl)-4-bromoaniline
CID 89287686
2-(1-aminocyclopropyl)-4-bromobenzenesulfonic acid
CID 122529268
2-(1-aminocyclohexyl)-4-bromophenol
CID 82625595
1-(4-bromo-2-methylphenyl)cyclohexan-1-amine
CID 82305048
1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
CID 83412154
1-(5-bromo-2-ethylphenyl)cyclohexan-1-amine
CID 84812388
1-(4-chloro-2-iodophenyl)cyclopropan-1-amine
CID 146523834
3-(1-aminocyclopropyl)-4-bromoaniline
CID 84690977
1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine
CID 82667140
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
CID 117457081

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-iodophenyl)cyclopropan-1-amine?
The IUPAC name of 1-(5-bromo-2-iodophenyl)cyclopropan-1-amine (CID 167713410) is 1-(5-bromo-2-iodophenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-iodophenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-iodophenyl)cyclopropan-1-amine is NC1(c2cc(Br)ccc2I)CC1.
What is the InChIKey of 1-(5-bromo-2-iodophenyl)cyclopropan-1-amine?
The InChIKey is PTUJPZPMGUILMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrIN/c10-6-1-2-8(11)7(5-6)9(12)3-4-9/h1-2,5H,3-4,12H2.
What are the key properties of 1-(5-bromo-2-iodophenyl)cyclopropan-1-amine?
1-(5-bromo-2-iodophenyl)cyclopropan-1-amine has a molecular weight of 337.99 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-iodophenyl)cyclopropan-1-amine is sourced from PubChem (CID 167713410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).