1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine

C14H13BrFN — CID 79743234

IUPAC1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1-c1cc(Br)ccc1F
InChIInChI=1S/C14H13BrFN/c1-17-9-10-4-2-3-5-12(10)13-8-11(15)6-7-14(13)16/h2-8,17H,9H2,1H3
InChIKeyAYYPJOGYKBOFMY-UHFFFAOYSA-N
MW294.17 g/mol
LogP3.97
Rot. Bonds3

About 1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine

1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine (PubChem CID 79743234) has the molecular formula C14H13BrFN and a molecular weight of 294.17 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine
PubChem CID79743234
Molecular FormulaC14H13BrFN
Molecular Weight294.17 g/mol
Exact Mass293.02
IUPAC Name1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1-c1cc(Br)ccc1F
InChIInChI=1S/C14H13BrFN/c1-17-9-10-4-2-3-5-12(10)13-8-11(15)6-7-14(13)16/h2-8,17H,9H2,1H3
InChIKeyAYYPJOGYKBOFMY-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine
CID 114060273
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 114676917
1-[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]-N-methylmethanamine
CID 79743412
2-(5-bromo-2-fluorophenyl)phenol
CID 83128574
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952475
[2-[2-(methylaminomethyl)phenyl]phenyl]methanol
CID 70630718
1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine
CID 82973605
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114895190
1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731986
N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 105349880
(5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613281

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine (CID 79743234) is 1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine is CNCc1ccccc1-c1cc(Br)ccc1F.
What is the InChIKey of 1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine?
The InChIKey is AYYPJOGYKBOFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN/c1-17-9-10-4-2-3-5-12(10)13-8-11(15)6-7-14(13)16/h2-8,17H,9H2,1H3.
What are the key properties of 1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine?
1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine has a molecular weight of 294.17 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 79743234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).