1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine

C14H11BrF3N — CID 114906490

IUPAC1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)cc(F)c1)c1ccc(Br)cc1F
InChIInChI=1S/C14H11BrF3N/c1-19-14(8-4-10(16)7-11(17)5-8)12-3-2-9(15)6-13(12)18/h2-7,14,19H,1H3
InChIKeyRDDOARSALVHICR-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.18
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine

1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine (PubChem CID 114906490) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
PubChem CID114906490
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)cc(F)c1)c1ccc(Br)cc1F
InChIInChI=1S/C14H11BrF3N/c1-19-14(8-4-10(16)7-11(17)5-8)12-3-2-9(15)6-13(12)18/h2-7,14,19H,1H3
InChIKeyRDDOARSALVHICR-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906456
1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481266
1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 43482234
1-(4-bromo-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480168
1-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114906262
1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114906280
1-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561405
1-(4-bromo-3,5-dimethylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 114330491
1-(4-bromo-2,6-difluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851692
1-(5-bromo-2-methylphenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016620
1-(4-bromo-2-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481879
1-(2,4-dibromophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107945698

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine (CID 114906490) is 1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine is CNC(c1cc(F)cc(F)c1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine?
The InChIKey is RDDOARSALVHICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c1-19-14(8-4-10(16)7-11(17)5-8)12-3-2-9(15)6-13(12)18/h2-7,14,19H,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine?
1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine has a molecular weight of 330.15 g/mol, XLogP of 4.18, 3 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)-1-(3,5-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 114906490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).