1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine

C11H16BrNO3 — CID 96709380

IUPAC1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine
SMILESCNCc1cc(Br)c(OC)c(OC)c1OC
InChIInChI=1S/C11H16BrNO3/c1-13-6-7-5-8(12)10(15-3)11(16-4)9(7)14-2/h5,13H,6H2,1-4H3
InChIKeyFVTNRCTVUZSAOO-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.19
Rot. Bonds5

About 1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine

1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine (PubChem CID 96709380) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine
PubChem CID96709380
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine
SMILESCNCc1cc(Br)c(OC)c(OC)c1OC
InChIInChI=1S/C11H16BrNO3/c1-13-6-7-5-8(12)10(15-3)11(16-4)9(7)14-2/h5,13H,6H2,1-4H3
InChIKeyFVTNRCTVUZSAOO-UHFFFAOYSA-N
XLogP2.19
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 96709381
4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol
CID 84807288
3-(5-bromo-2,3,4-trimethoxyphenyl)propane-1-thiol
CID 83925670
1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
CID 4717481
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686
3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol
CID 84711178
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
CID 84710424
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4715898
2,6-difluoro-3-methoxy-4-(methylaminomethyl)phenol
CID 84777069
1-(4-bromo-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117441818
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid
CID 117466771

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine (CID 96709380) is 1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine is CNCc1cc(Br)c(OC)c(OC)c1OC.
What is the InChIKey of 1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine?
The InChIKey is FVTNRCTVUZSAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-13-6-7-5-8(12)10(15-3)11(16-4)9(7)14-2/h5,13H,6H2,1-4H3.
What are the key properties of 1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine?
1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine has a molecular weight of 290.16 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3,4-trimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 96709380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).