3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline

C16H19BrN2O — CID 116951959

IUPAC3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
SMILESCNc1cccc(C(NC)c2cc(Br)ccc2OC)c1
InChIInChI=1S/C16H19BrN2O/c1-18-13-6-4-5-11(9-13)16(19-2)14-10-12(17)7-8-15(14)20-3/h4-10,16,18-19H,1-3H3
InChIKeyGITPMKYBUBBZMP-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.81
Rot. Bonds5

About 3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline

3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline (PubChem CID 116951959) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
PubChem CID116951959
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
SMILESCNc1cccc(C(NC)c2cc(Br)ccc2OC)c1
InChIInChI=1S/C16H19BrN2O/c1-18-13-6-4-5-11(9-13)16(19-2)14-10-12(17)7-8-15(14)20-3/h4-10,16,18-19H,1-3H3
InChIKeyGITPMKYBUBBZMP-UHFFFAOYSA-N
XLogP3.81
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline
CID 116951972
1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62919212
1-(5-bromo-2-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43480055
1-(3-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 107950307
1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 82807700
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
1-(5-bromo-2-methoxyphenyl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998570
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79214867
1-(5-bromo-2-ethoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43487355
1-(5-bromo-2-ethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43487317
1-(3-bromophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 116810308
3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
CID 116951951

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline (CID 116951959) is 3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline is CNc1cccc(C(NC)c2cc(Br)ccc2OC)c1.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline?
The InChIKey is GITPMKYBUBBZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-18-13-6-4-5-11(9-13)16(19-2)14-10-12(17)7-8-15(14)20-3/h4-10,16,18-19H,1-3H3.
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline?
3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline has a molecular weight of 335.25 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline is sourced from PubChem (CID 116951959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).