(3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine

C13H10BrFIN — CID 79746840

IUPAC(3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine
SMILESNC(c1ccc(I)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H10BrFIN/c14-11-7-9(3-6-12(11)15)13(17)8-1-4-10(16)5-2-8/h1-7,13H,17H2
InChIKeySYDSXFZIIDYUJZ-UHFFFAOYSA-N
MW406.04 g/mol
LogP4.24
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine

(3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine (PubChem CID 79746840) has the molecular formula C13H10BrFIN and a molecular weight of 406.04 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine
PubChem CID79746840
Molecular FormulaC13H10BrFIN
Molecular Weight406.04 g/mol
Exact Mass404.90
IUPAC Name(3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine
SMILESNC(c1ccc(I)cc1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H10BrFIN/c14-11-7-9(3-6-12(11)15)13(17)8-1-4-10(16)5-2-8/h1-7,13H,17H2
InChIKeySYDSXFZIIDYUJZ-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.04
LogP ≤ 54.24
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-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220431
(3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 79746427
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanamine
CID 79747674
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
CID 79746837
(2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine
CID 114559070
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-iodophenyl)methanamine
CID 107291498
(4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43124899
(3-bromo-4-propoxyphenyl)-(4-iodophenyl)methanamine
CID 104657896
(3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79747415
(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 82790039
(3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096574
2-amino-2-(3-bromo-4-fluorophenyl)acetonitrile
CID 16787208

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine (CID 79746840) is (3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine is NC(c1ccc(I)cc1)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine?
The InChIKey is SYDSXFZIIDYUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFIN/c14-11-7-9(3-6-12(11)15)13(17)8-1-4-10(16)5-2-8/h1-7,13H,17H2.
What are the key properties of (3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine?
(3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine has a molecular weight of 406.04 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine is sourced from PubChem (CID 79746840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).