1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine

C14H11BrCl2FN — CID 114887024

IUPAC1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1Cl)c1c(F)cccc1Br
InChIInChI=1S/C14H11BrCl2FN/c1-19-14(8-4-2-6-10(16)13(8)17)12-9(15)5-3-7-11(12)18/h2-7,14,19H,1H3
InChIKeySBMZXPCNELEMAW-UHFFFAOYSA-N
MW363.06 g/mol
LogP5.20
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine

1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine (PubChem CID 114887024) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
PubChem CID114887024
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC Name1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1Cl)c1c(F)cccc1Br
InChIInChI=1S/C14H11BrCl2FN/c1-19-14(8-4-2-6-10(16)13(8)17)12-9(15)5-3-7-11(12)18/h2-7,14,19H,1H3
InChIKeySBMZXPCNELEMAW-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.06
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 115851434
1-(2-bromophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 63417166
1-(2-bromo-6-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114886903
1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966548
1-(2-bromo-6-fluorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 114886958
1-(2-chloro-6-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482973
1-(3-bromo-2-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302295
1-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025147
1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114887123
1-(2-bromo-3-fluorophenyl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 115801020
1-(2,3-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79724980
1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 81454247

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine (CID 114887024) is 1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine is CNC(c1cccc(Cl)c1Cl)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine?
The InChIKey is SBMZXPCNELEMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c1-19-14(8-4-2-6-10(16)13(8)17)12-9(15)5-3-7-11(12)18/h2-7,14,19H,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine?
1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine has a molecular weight of 363.06 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 114887024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).