1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine

C15H14BrFIN — CID 114906381

IUPAC1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C15H14BrFIN/c1-19-15(8-10-2-5-12(18)6-3-10)13-7-4-11(16)9-14(13)17/h2-7,9,15,19H,8H2,1H3
InChIKeyYSDRUXLVJCXMEX-UHFFFAOYSA-N
MW434.09 g/mol
LogP4.70
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine

1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine (PubChem CID 114906381) has the molecular formula C15H14BrFIN and a molecular weight of 434.09 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
PubChem CID114906381
Molecular FormulaC15H14BrFIN
Molecular Weight434.09 g/mol
Exact Mass432.93
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C15H14BrFIN/c1-19-15(8-10-2-5-12(18)6-3-10)13-7-4-11(16)9-14(13)17/h2-7,9,15,19H,8H2,1H3
InChIKeyYSDRUXLVJCXMEX-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.09
LogP ≤ 54.70
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-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61064541
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 114906488
1-(4-bromo-2,6-difluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864305
1-(4-bromo-2-fluorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63527821
1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 81305355
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489
2-(4-bromophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 63526519
1-(4-bromo-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864029
1-(2,4-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864231
2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55188147
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107892172

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine (CID 114906381) is 1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine is CNC(Cc1ccc(I)cc1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine?
The InChIKey is YSDRUXLVJCXMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFIN/c1-19-15(8-10-2-5-12(18)6-3-10)13-7-4-11(16)9-14(13)17/h2-7,9,15,19H,8H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine?
1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine has a molecular weight of 434.09 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine is sourced from PubChem (CID 114906381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).