2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine

C15H14BrFIN — CID 105015718

IUPAC2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)c1cccc(I)c1
InChIInChI=1S/C15H14BrFIN/c1-19-15(11-3-2-4-14(18)8-11)7-10-5-12(16)9-13(17)6-10/h2-6,8-9,15,19H,7H2,1H3
InChIKeyQUJOLRQUDRMZMA-UHFFFAOYSA-N
MW434.09 g/mol
LogP4.70
Rot. Bonds4

About 2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine

2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine (PubChem CID 105015718) has the molecular formula C15H14BrFIN and a molecular weight of 434.09 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine
PubChem CID105015718
Molecular FormulaC15H14BrFIN
Molecular Weight434.09 g/mol
Exact Mass432.93
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)cc(Br)c1)c1cccc(I)c1
InChIInChI=1S/C15H14BrFIN/c1-19-15(11-3-2-4-14(18)8-11)7-10-5-12(16)9-13(17)6-10/h2-6,8-9,15,19H,7H2,1H3
InChIKeyQUJOLRQUDRMZMA-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

2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 105015717
N-[2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 105015509
2-(3-bromo-5-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 79703082
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107994476
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015619
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 79709381
2-(3,5-difluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 61496504
1-(3-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63526846
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105169477
1-(3-iodophenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 61063844
3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
CID 104845358

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine (CID 105015718) is 2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine is CNC(Cc1cc(F)cc(Br)c1)c1cccc(I)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine?
The InChIKey is QUJOLRQUDRMZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFIN/c1-19-15(11-3-2-4-14(18)8-11)7-10-5-12(16)9-13(17)6-10/h2-6,8-9,15,19H,7H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine?
2-(3-bromo-5-fluorophenyl)-1-(3-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 2-(3-bromo-5-fluorophenyl)-1-(3-iodophenyl)-N-methylethanamine is sourced from PubChem (CID 105015718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).