1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine

C14H12BrF2N — CID 114060273

IUPAC1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)cc1-c1cc(Br)ccc1F
InChIInChI=1S/C14H12BrF2N/c1-18-8-9-2-4-11(16)7-12(9)13-6-10(15)3-5-14(13)17/h2-7,18H,8H2,1H3
InChIKeyAGGPGMJCFGIIDA-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.11
Rot. Bonds3

About 1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine

1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine (PubChem CID 114060273) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine
PubChem CID114060273
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC Name1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)cc1-c1cc(Br)ccc1F
InChIInChI=1S/C14H12BrF2N/c1-18-8-9-2-4-11(16)7-12(9)13-6-10(15)3-5-14(13)17/h2-7,18H,8H2,1H3
InChIKeyAGGPGMJCFGIIDA-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine
CID 79743234
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 114674362
1-[4-bromo-2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63809929
1-[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]-N-methylmethanamine
CID 79743412
1-(2-ethyl-5-fluorophenyl)-N-methylmethanamine
CID 84765258
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
1-[4-fluoro-3-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 54911947
5-fluoro-2-(methylaminomethyl)phenol
CID 82595579
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-[5-chloro-2-(5-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 66159508

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine (CID 114060273) is 1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine is CNCc1ccc(F)cc1-c1cc(Br)ccc1F.
What is the InChIKey of 1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is AGGPGMJCFGIIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c1-18-8-9-2-4-11(16)7-12(9)13-6-10(15)3-5-14(13)17/h2-7,18H,8H2,1H3.
What are the key properties of 1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine?
1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 312.16 g/mol, XLogP of 4.11, 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)-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 114060273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).