2-[(2-iodophenyl)methyl]aniline

C13H12IN — CID 69343574

IUPAC2-[(2-iodophenyl)methyl]aniline
SMILESNc1ccccc1Cc1ccccc1I
InChIInChI=1S/C13H12IN/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9,15H2
InChIKeyQVGYPGKQAHAPEQ-UHFFFAOYSA-N
MW309.15 g/mol
LogP3.46
Rot. Bonds2

About 2-[(2-iodophenyl)methyl]aniline

2-[(2-iodophenyl)methyl]aniline (PubChem CID 69343574) has the molecular formula C13H12IN and a molecular weight of 309.15 g/mol. Its IUPAC name is 2-[(2-iodophenyl)methyl]aniline.

Molecular Properties

Compound Name2-[(2-iodophenyl)methyl]aniline
PubChem CID69343574
Molecular FormulaC13H12IN
Molecular Weight309.15 g/mol
Exact Mass309.00
IUPAC Name2-[(2-iodophenyl)methyl]aniline
SMILESNc1ccccc1Cc1ccccc1I
InChIInChI=1S/C13H12IN/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9,15H2
InChIKeyQVGYPGKQAHAPEQ-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-2-[(2-iodophenyl)methyl]benzene
CID 597023
2-[(2-aminophenyl)methyl]aniline;aniline
CID 158811697
2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
CID 142730612
2-[(2-fluorophenyl)methyl]aniline
CID 21497428
6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine
CID 101277558
ethane;2-ethylaniline
CID 90841248
2-(aminomethyl)aniline;hydrochloride
CID 69170371
(2-aminophenyl)methyloxidanium
CID 164683115
2-ethylaniline;propane
CID 143529464
2-[(4-ethylphenyl)methyl]aniline
CID 11572028
2-[(4-chlorophenyl)methyl]aniline
CID 18412139
2-(2-iodophenyl)ethanamine;hydrochloride
CID 20517474

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodophenyl)methyl]aniline?
The IUPAC name of 2-[(2-iodophenyl)methyl]aniline (CID 69343574) is 2-[(2-iodophenyl)methyl]aniline.
What is the SMILES notation for 2-[(2-iodophenyl)methyl]aniline?
The canonical SMILES for 2-[(2-iodophenyl)methyl]aniline is Nc1ccccc1Cc1ccccc1I.
What is the InChIKey of 2-[(2-iodophenyl)methyl]aniline?
The InChIKey is QVGYPGKQAHAPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9,15H2.
What are the key properties of 2-[(2-iodophenyl)methyl]aniline?
2-[(2-iodophenyl)methyl]aniline has a molecular weight of 309.15 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodophenyl)methyl]aniline is sourced from PubChem (CID 69343574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).