4-(aminomethyl)-3-iodoaniline

C7H9IN2 — CID 91883183

IUPAC4-(aminomethyl)-3-iodoaniline
SMILESNCc1ccc(N)cc1I
InChIInChI=1S/C7H9IN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,4,9-10H2
InChIKeyIQPNMAHLXGVIFX-UHFFFAOYSA-N
MW248.07 g/mol
LogP1.33
Rot. Bonds1

About 4-(aminomethyl)-3-iodoaniline

4-(aminomethyl)-3-iodoaniline (PubChem CID 91883183) has the molecular formula C7H9IN2 and a molecular weight of 248.07 g/mol. Its IUPAC name is 4-(aminomethyl)-3-iodoaniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-iodoaniline
PubChem CID91883183
Molecular FormulaC7H9IN2
Molecular Weight248.07 g/mol
Exact Mass247.98
IUPAC Name4-(aminomethyl)-3-iodoaniline
SMILESNCc1ccc(N)cc1I
InChIInChI=1S/C7H9IN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,4,9-10H2
InChIKeyIQPNMAHLXGVIFX-UHFFFAOYSA-N
XLogP1.33
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-iodoaniline?
The IUPAC name of 4-(aminomethyl)-3-iodoaniline (CID 91883183) is 4-(aminomethyl)-3-iodoaniline.
What is the SMILES notation for 4-(aminomethyl)-3-iodoaniline?
The canonical SMILES for 4-(aminomethyl)-3-iodoaniline is NCc1ccc(N)cc1I.
What is the InChIKey of 4-(aminomethyl)-3-iodoaniline?
The InChIKey is IQPNMAHLXGVIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,4,9-10H2.
What are the key properties of 4-(aminomethyl)-3-iodoaniline?
4-(aminomethyl)-3-iodoaniline has a molecular weight of 248.07 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-iodoaniline is sourced from PubChem (CID 91883183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).