N-[(4-iodophenyl)methyl]pyrrol-1-amine

C11H11IN2 — CID 79100924

IUPACN-[(4-iodophenyl)methyl]pyrrol-1-amine
SMILESIc1ccc(CNn2cccc2)cc1
InChIInChI=1S/C11H11IN2/c12-11-5-3-10(4-6-11)9-13-14-7-1-2-8-14/h1-8,13H,9H2
InChIKeyCJTJVOWXFLFAGT-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.84
Rot. Bonds3

About N-[(4-iodophenyl)methyl]pyrrol-1-amine

N-[(4-iodophenyl)methyl]pyrrol-1-amine (PubChem CID 79100924) has the molecular formula C11H11IN2 and a molecular weight of 298.13 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]pyrrol-1-amine
PubChem CID79100924
Molecular FormulaC11H11IN2
Molecular Weight298.13 g/mol
Exact Mass298.00
IUPAC NameN-[(4-iodophenyl)methyl]pyrrol-1-amine
SMILESIc1ccc(CNn2cccc2)cc1
InChIInChI=1S/C11H11IN2/c12-11-5-3-10(4-6-11)9-13-14-7-1-2-8-14/h1-8,13H,9H2
InChIKeyCJTJVOWXFLFAGT-UHFFFAOYSA-N
XLogP2.84
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]pyrrol-1-amine?
The IUPAC name of N-[(4-iodophenyl)methyl]pyrrol-1-amine (CID 79100924) is N-[(4-iodophenyl)methyl]pyrrol-1-amine.
What is the SMILES notation for N-[(4-iodophenyl)methyl]pyrrol-1-amine?
The canonical SMILES for N-[(4-iodophenyl)methyl]pyrrol-1-amine is Ic1ccc(CNn2cccc2)cc1.
What is the InChIKey of N-[(4-iodophenyl)methyl]pyrrol-1-amine?
The InChIKey is CJTJVOWXFLFAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2/c12-11-5-3-10(4-6-11)9-13-14-7-1-2-8-14/h1-8,13H,9H2.
What are the key properties of N-[(4-iodophenyl)methyl]pyrrol-1-amine?
N-[(4-iodophenyl)methyl]pyrrol-1-amine has a molecular weight of 298.13 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methyl]pyrrol-1-amine is sourced from PubChem (CID 79100924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).