1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine

C14H12BrFIN — CID 114032647

IUPAC1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1cc(Br)ccc1I
InChIInChI=1S/C14H12BrFIN/c1-18-14(9-2-5-11(16)6-3-9)12-8-10(15)4-7-13(12)17/h2-8,14,18H,1H3
InChIKeyCUYDCNAICMREDG-UHFFFAOYSA-N
MW420.06 g/mol
LogP4.50
Rot. Bonds3

About 1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine

1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine (PubChem CID 114032647) has the molecular formula C14H12BrFIN and a molecular weight of 420.06 g/mol. Its IUPAC name is 1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
PubChem CID114032647
Molecular FormulaC14H12BrFIN
Molecular Weight420.06 g/mol
Exact Mass418.92
IUPAC Name1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1cc(Br)ccc1I
InChIInChI=1S/C14H12BrFIN/c1-18-14(9-2-5-11(16)6-3-9)12-8-10(15)4-7-13(12)17/h2-8,14,18H,1H3
InChIKeyCUYDCNAICMREDG-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.06
LogP ≤ 54.50
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

1-(2,4-dibromophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 107945033
1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481266
1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43482225
1,1-bis(4-fluorophenyl)-N-methylmethanamine
CID 22660961
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
[(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methyl]hydrazine
CID 105284036
1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485696
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 104541674
1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 114906490
1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481879
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43484899
1-(5-bromo-2-methylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016620

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine (CID 114032647) is 1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(F)cc1)c1cc(Br)ccc1I.
What is the InChIKey of 1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine?
The InChIKey is CUYDCNAICMREDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFIN/c1-18-14(9-2-5-11(16)6-3-9)12-8-10(15)4-7-13(12)17/h2-8,14,18H,1H3.
What are the key properties of 1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine?
1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine has a molecular weight of 420.06 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-iodophenyl)-1-(4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 114032647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).