1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine

C14H11Br3FN — CID 107979866

IUPAC1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)cc(Br)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H11Br3FN/c1-19-14(8-2-3-13(18)12(17)6-8)9-4-10(15)7-11(16)5-9/h2-7,14,19H,1H3
InChIKeyHEDUMCIXTNIXRE-UHFFFAOYSA-N
MW451.96 g/mol
LogP5.42
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine

1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine (PubChem CID 107979866) has the molecular formula C14H11Br3FN and a molecular weight of 451.96 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
PubChem CID107979866
Molecular FormulaC14H11Br3FN
Molecular Weight451.96 g/mol
Exact Mass448.84
IUPAC Name1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)cc(Br)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H11Br3FN/c1-19-14(8-2-3-13(18)12(17)6-8)9-4-10(15)7-11(16)5-9/h2-7,14,19H,1H3
InChIKeyHEDUMCIXTNIXRE-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.96
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-chlorophenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 81290682
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 79747347
1-(3-bromo-4-fluorophenyl)-1-(2-bromophenyl)-N-methylmethanamine
CID 79746439
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 82790188
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 82810031
1-(3,5-dibromophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114022838
1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513771
1-(3-bromo-4-fluorophenyl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107950732
1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 107950608
1-(4-bromo-3-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851527
1-(3-bromo-4-ethoxyphenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107979922
1-(3-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 107950307

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine (CID 107979866) is 1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine is CNC(c1cc(Br)cc(Br)c1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine?
The InChIKey is HEDUMCIXTNIXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3FN/c1-19-14(8-2-3-13(18)12(17)6-8)9-4-10(15)7-11(16)5-9/h2-7,14,19H,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine?
1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine has a molecular weight of 451.96 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine is sourced from PubChem (CID 107979866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).