1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine

C11H16BrNO2 — CID 116961980

IUPAC1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
SMILESCNC(Br)c1c(C)cc(OC)cc1OC
InChIInChI=1S/C11H16BrNO2/c1-7-5-8(14-3)6-9(15-4)10(7)11(12)13-2/h5-6,11,13H,1-4H3
InChIKeyUCLKTOWVTVJNKP-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.63
Rot. Bonds4

About 1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine

1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine (PubChem CID 116961980) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
PubChem CID116961980
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
SMILESCNC(Br)c1c(C)cc(OC)cc1OC
InChIInChI=1S/C11H16BrNO2/c1-7-5-8(14-3)6-9(15-4)10(7)11(12)13-2/h5-6,11,13H,1-4H3
InChIKeyUCLKTOWVTVJNKP-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116962144
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol
CID 116859497
1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 116948303
(E)-4-(2,4-dimethoxy-6-methylphenyl)-4-(methylamino)but-2-enoic acid
CID 116956367
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 116948929
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 116949911
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol
CID 116863258
methylamino-(2,4,6-trimethoxyphenyl)methanethiol
CID 116954536
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 116961940

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine (CID 116961980) is 1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine is CNC(Br)c1c(C)cc(OC)cc1OC.
What is the InChIKey of 1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine?
The InChIKey is UCLKTOWVTVJNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-7-5-8(14-3)6-9(15-4)10(7)11(12)13-2/h5-6,11,13H,1-4H3.
What are the key properties of 1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine?
1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine has a molecular weight of 274.16 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 116961980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).