2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine

C12H18BrNO2 — CID 117465307

IUPAC2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
SMILESCNCCc1c(COC)cc(Br)cc1OC
InChIInChI=1S/C12H18BrNO2/c1-14-5-4-11-9(8-15-2)6-10(13)7-12(11)16-3/h6-7,14H,4-5,8H2,1-3H3
InChIKeyZVVXGKOHRVWYHL-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.37
Rot. Bonds6

About 2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine

2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine (PubChem CID 117465307) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
PubChem CID117465307
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
SMILESCNCCc1c(COC)cc(Br)cc1OC
InChIInChI=1S/C12H18BrNO2/c1-14-5-4-11-9(8-15-2)6-10(13)7-12(11)16-3/h6-7,14H,4-5,8H2,1-3H3
InChIKeyZVVXGKOHRVWYHL-UHFFFAOYSA-N
XLogP2.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-fluoro-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
CID 117327131
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-one
CID 117463007
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine
CID 117465285
2-(2-bromo-4,6-dimethoxyphenyl)-N-methylethanamine
CID 117437716
2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117465308
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol
CID 117439689
2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine
CID 117403574
2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815
(4-bromo-2,6-dimethoxyphenyl)methanamine
CID 130139852
2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 84710711
3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal
CID 117349022
1-(4-bromo-2,6-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 119098888

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine (CID 117465307) is 2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine is CNCCc1c(COC)cc(Br)cc1OC.
What is the InChIKey of 2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine?
The InChIKey is ZVVXGKOHRVWYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-14-5-4-11-9(8-15-2)6-10(13)7-12(11)16-3/h6-7,14H,4-5,8H2,1-3H3.
What are the key properties of 2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine?
2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine has a molecular weight of 288.19 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 117465307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).