1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine

C15H14Br2ClNO — CID 43480017

IUPAC1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)ccc1Cl)c1cc(Br)ccc1OC
InChIInChI=1S/C15H14Br2ClNO/c1-19-15(11-7-9(16)3-5-13(11)18)12-8-10(17)4-6-14(12)20-2/h3-8,15,19H,1-2H3
InChIKeyXLSMXYHLZPDQQC-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.18
Rot. Bonds4

About 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine

1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine (PubChem CID 43480017) has the molecular formula C15H14Br2ClNO and a molecular weight of 419.54 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
PubChem CID43480017
Molecular FormulaC15H14Br2ClNO
Molecular Weight419.54 g/mol
Exact Mass416.91
IUPAC Name1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)ccc1Cl)c1cc(Br)ccc1OC
InChIInChI=1S/C15H14Br2ClNO/c1-19-15(11-7-9(16)3-5-13(11)18)12-8-10(17)4-6-14(12)20-2/h3-8,15,19H,1-2H3
InChIKeyXLSMXYHLZPDQQC-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.54
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545863
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65433342
1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43480054
1-(5-bromo-2-methoxyphenyl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998570
1-(4-bromo-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545947
1-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43480052
1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 114369248
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79214867
1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 81110564
1-(5-bromo-2-methoxyphenyl)-1-chloro-N-methylmethanamine
CID 116962060
1-(5-bromo-2-ethoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43487355
1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485696

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine (CID 43480017) is 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine is CNC(c1cc(Br)ccc1Cl)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is XLSMXYHLZPDQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO/c1-19-15(11-7-9(16)3-5-13(11)18)12-8-10(17)4-6-14(12)20-2/h3-8,15,19H,1-2H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine?
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine has a molecular weight of 419.54 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43480017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).