1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine

C11H16BrNO2 — CID 116961940

IUPAC1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(Br)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C11H16BrNO2/c1-7-5-9(14-3)10(15-4)6-8(7)11(12)13-2/h5-6,11,13H,1-4H3
InChIKeyKTZOPESUVJUODC-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.63
Rot. Bonds4

About 1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine

1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine (PubChem CID 116961940) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
PubChem CID116961940
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
SMILESCNC(Br)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C11H16BrNO2/c1-7-5-9(14-3)10(15-4)6-8(7)11(12)13-2/h5-6,11,13H,1-4H3
InChIKeyKTZOPESUVJUODC-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-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene
CID 61097408
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43626719
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 116915074
1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43626707
1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948581
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43626718
1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine
CID 43626705
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)propan-2-one
CID 116859802
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949042
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol
CID 116957681
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62678421
1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116961980

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine (CID 116961940) is 1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine is CNC(Br)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine?
The InChIKey is KTZOPESUVJUODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-7-5-9(14-3)10(15-4)6-8(7)11(12)13-2/h5-6,11,13H,1-4H3.
What are the key properties of 1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine?
1-bromo-1-(4,5-dimethoxy-2-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-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 116961940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).