1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine

C16H18BrNOS — CID 79214867

IUPAC1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
SMILESCNC(c1cc(Br)ccc1OC)c1ccccc1SC
InChIInChI=1S/C16H18BrNOS/c1-18-16(12-6-4-5-7-15(12)20-3)13-10-11(17)8-9-14(13)19-2/h4-10,16,18H,1-3H3
InChIKeyULTUMQZEHHGKSO-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.49
Rot. Bonds5

About 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine

1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine (PubChem CID 79214867) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
PubChem CID79214867
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
SMILESCNC(c1cc(Br)ccc1OC)c1ccccc1SC
InChIInChI=1S/C16H18BrNOS/c1-18-16(12-6-4-5-7-15(12)20-3)13-10-11(17)8-9-14(13)19-2/h4-10,16,18H,1-3H3
InChIKeyULTUMQZEHHGKSO-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
1-(5-bromo-2-ethoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43487355
1-(2,4-dimethoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79212518
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105032973
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105025159
1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43480054
1-(5-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545863
1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62919212
1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 81110564
1-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43480052
3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
CID 116951959
1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 43481987

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine (CID 79214867) is 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine is CNC(c1cc(Br)ccc1OC)c1ccccc1SC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
The InChIKey is ULTUMQZEHHGKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-18-16(12-6-4-5-7-15(12)20-3)13-10-11(17)8-9-14(13)19-2/h4-10,16,18H,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine?
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine has a molecular weight of 352.30 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 79214867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).