1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine

C15H14Br2ClNO — CID 105007156

IUPAC1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(OC)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H14Br2ClNO/c1-19-15(11-8-10(16)4-5-12(11)17)9-3-6-13(18)14(7-9)20-2/h3-8,15,19H,1-2H3
InChIKeyLJQDRNPDNFAEMP-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.18
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine

1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine (PubChem CID 105007156) has the molecular formula C15H14Br2ClNO and a molecular weight of 419.54 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
PubChem CID105007156
Molecular FormulaC15H14Br2ClNO
Molecular Weight419.54 g/mol
Exact Mass416.91
IUPAC Name1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(OC)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H14Br2ClNO/c1-19-15(11-8-10(16)4-5-12(11)17)9-3-6-13(18)14(7-9)20-2/h3-8,15,19H,1-2H3
InChIKeyLJQDRNPDNFAEMP-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-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006891
1-(4-bromo-2-chlorophenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006762
1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 114369248
1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105007011
1-(5-bromo-2-methoxyphenyl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998570
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65433342
[(2-bromo-5-fluorophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320841
[(2-bromo-5-iodophenyl)-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 114027382
1-(2,5-dibromophenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43482225
1-(5-bromo-2-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43480055
1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105006926

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine (CID 105007156) is 1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine is CNC(c1ccc(Cl)c(OC)c1)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine?
The InChIKey is LJQDRNPDNFAEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO/c1-19-15(11-8-10(16)4-5-12(11)17)9-3-6-13(18)14(7-9)20-2/h3-8,15,19H,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine?
1-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-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-(4-chloro-3-methoxyphenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine is sourced from PubChem (CID 105007156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).