1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine

C14H11BrClF2N — CID 106763208

IUPAC1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(Br)c(Cl)c2F)cc1F
InChIInChI=1S/C14H11BrClF2N/c1-19-7-9-3-2-8(6-12(9)17)10-4-5-11(15)13(16)14(10)18/h2-6,19H,7H2,1H3
InChIKeyUSBFRTIHPYBSOZ-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.77
Rot. Bonds3

About 1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine

1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine (PubChem CID 106763208) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine
PubChem CID106763208
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(Br)c(Cl)c2F)cc1F
InChIInChI=1S/C14H11BrClF2N/c1-19-7-9-3-2-8(6-12(9)17)10-4-5-11(15)13(16)14(10)18/h2-6,19H,7H2,1H3
InChIKeyUSBFRTIHPYBSOZ-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911260
1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503173
1-[4-(3-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 61227637
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 61033370
1-[2-chloro-4-(2-chloro-4,5-difluorophenyl)phenyl]-N-methylmethanamine
CID 107476855
1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 107514112
1-[3-(4-bromo-3-chloro-2-fluorophenyl)phenyl]propan-1-amine
CID 106763293
1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine
CID 79690156
4-(4-bromo-3-chloro-2-fluorophenyl)-2-chlorobenzaldehyde
CID 106763198
[2-(4-bromo-3-chloro-2-fluorophenyl)-5-chlorophenyl]methanamine
CID 106763212
1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine
CID 63424766

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine (CID 106763208) is 1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine is CNCc1ccc(-c2ccc(Br)c(Cl)c2F)cc1F.
What is the InChIKey of 1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine?
The InChIKey is USBFRTIHPYBSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c1-19-7-9-3-2-8(6-12(9)17)10-4-5-11(15)13(16)14(10)18/h2-6,19H,7H2,1H3.
What are the key properties of 1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine?
1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine has a molecular weight of 346.60 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 106763208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).