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

C18H22BrNO — CID 105032785

IUPAC1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(OC)cc1C)c1cc(C)ccc1Br
InChIInChI=1S/C18H22BrNO/c1-11-6-7-16(19)15(8-11)18(20-4)14-9-13(3)17(21-5)10-12(14)2/h6-10,18,20H,1-5H3
InChIKeyNMBBQGKNDYMHBT-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.69
Rot. Bonds4

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

1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 105032785) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
PubChem CID105032785
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(OC)cc1C)c1cc(C)ccc1Br
InChIInChI=1S/C18H22BrNO/c1-11-6-7-16(19)15(8-11)18(20-4)14-9-13(3)17(21-5)10-12(14)2/h6-10,18,20H,1-5H3
InChIKeyNMBBQGKNDYMHBT-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxy-4-methylphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 65433732
1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 81110564
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81110285
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83043843
1-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43480052
1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43479934
1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 105032769
1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852683
1-(2-bromo-3-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 107981976
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105032973
1-(2,4-dimethylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990383
1-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43482669

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine (CID 105032785) is 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)c(OC)cc1C)c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is NMBBQGKNDYMHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-11-6-7-16(19)15(8-11)18(20-4)14-9-13(3)17(21-5)10-12(14)2/h6-10,18,20H,1-5H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine?
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 348.28 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105032785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).