1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine

C14H12BrClFN — CID 115801020

IUPAC1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1Cl)c1cccc(F)c1Br
InChIInChI=1S/C14H12BrClFN/c1-18-14(9-5-2-3-7-11(9)16)10-6-4-8-12(17)13(10)15/h2-8,14,18H,1H3
InChIKeyLFJAZRUECSSPEL-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.55
Rot. Bonds3

About 1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine

1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine (PubChem CID 115801020) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine
PubChem CID115801020
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1Cl)c1cccc(F)c1Br
InChIInChI=1S/C14H12BrClFN/c1-18-14(9-5-2-3-7-11(9)16)10-6-4-8-12(17)13(10)15/h2-8,14,18H,1H3
InChIKeyLFJAZRUECSSPEL-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.61
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-fluorophenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 115811322
1-(2-bromo-3-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830097
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063
1-(3-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 64714362
1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 114887024
1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 114978285
1-(2-bromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 55079167
1-(2-bromophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 63417166
1-(2-chlorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55110975
N-[(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 115801146
1-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053193
[(2-bromo-3-fluorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 105292326

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine (CID 115801020) is 1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine is CNC(c1ccccc1Cl)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine?
The InChIKey is LFJAZRUECSSPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-18-14(9-5-2-3-7-11(9)16)10-6-4-8-12(17)13(10)15/h2-8,14,18H,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine?
1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine has a molecular weight of 328.61 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 115801020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).