(2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine

C13H9F3IN — CID 43198713

IUPAC(2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1ccccc1I)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H9F3IN/c14-7-5-9(15)12(10(16)6-7)13(18)8-3-1-2-4-11(8)17/h1-6,13H,18H2
InChIKeyOLCJADFVTINEEY-UHFFFAOYSA-N
MW363.12 g/mol
LogP3.76
Rot. Bonds2

About (2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine

(2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 43198713) has the molecular formula C13H9F3IN and a molecular weight of 363.12 g/mol. Its IUPAC name is (2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID43198713
Molecular FormulaC13H9F3IN
Molecular Weight363.12 g/mol
Exact Mass362.97
IUPAC Name(2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1ccccc1I)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H9F3IN/c14-7-5-9(15)12(10(16)6-7)13(18)8-3-1-2-4-11(8)17/h1-6,13H,18H2
InChIKeyOLCJADFVTINEEY-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.12
LogP ≤ 53.76
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

4-Fluorobenzylamine
CID 67326
Benzhydrylamine
CID 7036
Mofegiline
CID 6437850
1-Biphenyl-2-ylmethanamine
CID 263366
1,2-Diphenylethylamine
CID 26482
4-Iodobenzylamine
CID 2737533
4-Phenylbenzylamine
CID 344989
(1R,2R)-(+)-1,2-Diphenylethylenediamine
CID 2724998
1,3-Diphenyl-2-aminopropane
CID 77960
2-Fluorobenzylamine
CID 66649
3-Fluorobenzylamine
CID 66853
(1S,2S)-1,2-diphenylethane-1,2-diamine
CID 6931238

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine (CID 43198713) is (2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine is NC(c1ccccc1I)c1c(F)cc(F)cc1F.
What is the InChIKey of (2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is OLCJADFVTINEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3IN/c14-7-5-9(15)12(10(16)6-7)13(18)8-3-1-2-4-11(8)17/h1-6,13H,18H2.
What are the key properties of (2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine?
(2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 363.12 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 43198713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).