1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine

C16H18BrNO2 — CID 60880406

IUPAC1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1OCc1ccccc1Br
InChIInChI=1S/C16H18BrNO2/c1-18-10-13-9-14(19-2)7-8-16(13)20-11-12-5-3-4-6-15(12)17/h3-9,18H,10-11H2,1-2H3
InChIKeyZVLVDSOLRHWJDI-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.76
Rot. Bonds6

About 1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine

1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine (PubChem CID 60880406) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
PubChem CID60880406
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1OCc1ccccc1Br
InChIInChI=1S/C16H18BrNO2/c1-18-10-13-9-14(19-2)7-8-16(13)20-11-12-5-3-4-6-15(12)17/h3-9,18H,10-11H2,1-2H3
InChIKeyZVLVDSOLRHWJDI-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 65321998
1-[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880037
[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267977
1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine
CID 123641873
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
1-[5-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876048
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 61028878
1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60881982
1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880600
1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876103
N-[[2-[(2-bromophenyl)methoxy]-5-fluorophenyl]methyl]propan-2-amine
CID 107696130
N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 60878145

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine (CID 60880406) is 1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine is CNCc1cc(OC)ccc1OCc1ccccc1Br.
What is the InChIKey of 1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
The InChIKey is ZVLVDSOLRHWJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-18-10-13-9-14(19-2)7-8-16(13)20-11-12-5-3-4-6-15(12)17/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine has a molecular weight of 336.23 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 60880406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).