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

C14H12BrF2N — CID 114906280

IUPAC1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1F)c1ccc(Br)cc1F
InChIInChI=1S/C14H12BrF2N/c1-18-14(10-4-2-3-5-12(10)16)11-7-6-9(15)8-13(11)17/h2-8,14,18H,1H3
InChIKeyRXUQAFHKLUSGNF-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.04
Rot. Bonds3

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

1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine (PubChem CID 114906280) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
PubChem CID114906280
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC Name1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1F)c1ccc(Br)cc1F
InChIInChI=1S/C14H12BrF2N/c1-18-14(10-4-2-3-5-12(10)16)11-7-6-9(15)8-13(11)17/h2-8,14,18H,1H3
InChIKeyRXUQAFHKLUSGNF-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 115827845
1-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114906262
1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 43482234
1-(2,4-difluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43484143
1-(4-bromo-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906492
1-(2-bromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 55079167
1-(3,5-dibromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114022874
1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 114906490
1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481266
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302180
1-(2,4-dibromophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107945698
1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 43481987

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine (CID 114906280) is 1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine is CNC(c1ccccc1F)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine?
The InChIKey is RXUQAFHKLUSGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c1-18-14(10-4-2-3-5-12(10)16)11-7-6-9(15)8-13(11)17/h2-8,14,18H,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine?
1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine has a molecular weight of 312.16 g/mol, XLogP of 4.04, 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-(2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 114906280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).