1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine

C16H16Br3NO — CID 107950679

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1Br)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C16H16Br3NO/c1-9-6-15(21-3)12(8-13(9)18)16(20-2)11-5-4-10(17)7-14(11)19/h4-8,16,20H,1-3H3
InChIKeyJEXOZJBKLCHVFC-UHFFFAOYSA-N
MW478.02 g/mol
LogP5.60
Rot. Bonds4

About 1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine

1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine (PubChem CID 107950679) has the molecular formula C16H16Br3NO and a molecular weight of 478.02 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine
PubChem CID107950679
Molecular FormulaC16H16Br3NO
Molecular Weight478.02 g/mol
Exact Mass474.88
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1Br)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C16H16Br3NO/c1-9-6-15(21-3)12(8-13(9)18)16(20-2)11-5-4-10(17)7-14(11)19/h4-8,16,20H,1-3H3
InChIKeyJEXOZJBKLCHVFC-UHFFFAOYSA-N
XLogP5.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.02
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65433731
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65433342
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 65433732
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(5-chloro-2-methylphenyl)-N-methylmethanamine
CID 82871128
1-(2-bromofuran-3-yl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106851843
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 65438765
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65438567
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122988
1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 81110564
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 65438955
1-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65431988
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine (CID 107950679) is 1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine is CNC(c1ccc(Br)cc1Br)c1cc(Br)c(C)cc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine?
The InChIKey is JEXOZJBKLCHVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br3NO/c1-9-6-15(21-3)12(8-13(9)18)16(20-2)11-5-4-10(17)7-14(11)19/h4-8,16,20H,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine?
1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine has a molecular weight of 478.02 g/mol, XLogP of 5.60, 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-methoxy-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylmethanamine is sourced from PubChem (CID 107950679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).