1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride

C9H11ClIN — CID 117047042

IUPAC1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(I)cc2)CC1
InChIInChI=1S/C9H10IN.ClH/c10-8-3-1-7(2-4-8)9(11)5-6-9;/h1-4H,5-6,11H2;1H
InChIKeyRHKSSWIXXBOFKZ-UHFFFAOYSA-N
MW295.55 g/mol
LogP2.66
Rot. Bonds1

About 1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride

1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride (PubChem CID 117047042) has the molecular formula C9H11ClIN and a molecular weight of 295.55 g/mol. Its IUPAC name is 1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride
PubChem CID117047042
Molecular FormulaC9H11ClIN
Molecular Weight295.55 g/mol
Exact Mass294.96
IUPAC Name1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(I)cc2)CC1
InChIInChI=1S/C9H10IN.ClH/c10-8-3-1-7(2-4-8)9(11)5-6-9;/h1-4H,5-6,11H2;1H
InChIKeyRHKSSWIXXBOFKZ-UHFFFAOYSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.55
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride (CID 117047042) is 1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride is Cl.NC1(c2ccc(I)cc2)CC1.
What is the InChIKey of 1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is RHKSSWIXXBOFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN.ClH/c10-8-3-1-7(2-4-8)9(11)5-6-9;/h1-4H,5-6,11H2;1H.
What are the key properties of 1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride?
1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 295.55 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 1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 117047042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).