1-(3-fluoro-2-iodophenyl)-N-methylmethanamine

C8H9FIN — CID 135394469

IUPAC1-(3-fluoro-2-iodophenyl)-N-methylmethanamine
SMILESCNCc1cccc(F)c1I
InChIInChI=1S/C8H9FIN/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,11H,5H2,1H3
InChIKeyRYHJKKQSZSQOTB-UHFFFAOYSA-N
MW265.07 g/mol
LogP2.15
Rot. Bonds2

About 1-(3-fluoro-2-iodophenyl)-N-methylmethanamine

1-(3-fluoro-2-iodophenyl)-N-methylmethanamine (PubChem CID 135394469) has the molecular formula C8H9FIN and a molecular weight of 265.07 g/mol. Its IUPAC name is 1-(3-fluoro-2-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-fluoro-2-iodophenyl)-N-methylmethanamine
PubChem CID135394469
Molecular FormulaC8H9FIN
Molecular Weight265.07 g/mol
Exact Mass264.98
IUPAC Name1-(3-fluoro-2-iodophenyl)-N-methylmethanamine
SMILESCNCc1cccc(F)c1I
InChIInChI=1S/C8H9FIN/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,11H,5H2,1H3
InChIKeyRYHJKKQSZSQOTB-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.07
LogP ≤ 52.15
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

(3-fluoro-2-iodophenyl)methylhydrazine
CID 135394130
1-(2-iodo-3-methylphenyl)-N-methylmethanamine
CID 15288422
1-[2-fluoro-6-(methylaminomethyl)phenyl]ethanone
CID 166978041
CID 155601276
CID 155601276
2-(3-fluoro-2-iodophenyl)ethanol
CID 67516027
1-(2-iodophenyl)-N-methylmethanamine;hydrochloride
CID 155822596
1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
1-[2-(4-bromophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114069268
2-[(3-fluoro-2-iodoanilino)methyl]-6-methylphenol
CID 114258304
2,6-difluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606132
2-fluoro-6-[2-(methylaminomethyl)phenoxy]benzamide
CID 106485411

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-fluoro-2-iodophenyl)-N-methylmethanamine (CID 135394469) is 1-(3-fluoro-2-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-fluoro-2-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-fluoro-2-iodophenyl)-N-methylmethanamine is CNCc1cccc(F)c1I.
What is the InChIKey of 1-(3-fluoro-2-iodophenyl)-N-methylmethanamine?
The InChIKey is RYHJKKQSZSQOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FIN/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,11H,5H2,1H3.
What are the key properties of 1-(3-fluoro-2-iodophenyl)-N-methylmethanamine?
1-(3-fluoro-2-iodophenyl)-N-methylmethanamine has a molecular weight of 265.07 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 135394469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).