N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline

C11H16BrNO — CID 115261763

IUPACN-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline
SMILESCOc1cc(C)cc(C)c1N(C)CBr
InChIInChI=1S/C11H16BrNO/c1-8-5-9(2)11(13(3)7-12)10(6-8)14-4/h5-6H,7H2,1-4H3
InChIKeyALHJPFZSZNLWLS-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.10
Rot. Bonds3

About N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline

N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline (PubChem CID 115261763) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline.

Molecular Properties

Compound NameN-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline
PubChem CID115261763
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC NameN-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline
SMILESCOc1cc(C)cc(C)c1N(C)CBr
InChIInChI=1S/C11H16BrNO/c1-8-5-9(2)11(13(3)7-12)10(6-8)14-4/h5-6H,7H2,1-4H3
InChIKeyALHJPFZSZNLWLS-UHFFFAOYSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-(2-methoxy-N,4,6-trimethylanilino)propane-1-thiol
CID 115224772
1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199192
N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline
CID 115261698
4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile
CID 115231605
2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile
CID 115254389
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline
CID 115244018
(2-methoxy-4,6-dimethylphenyl)-methylcarbamic acid
CID 115170774
2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline
CID 115258433
N-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-(methylamino)acetamide
CID 82496838
2-[(E)-4-bromobut-1-enyl]-1-methoxy-3,5-dimethylbenzene
CID 106681551
2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile
CID 115130049
4-hydroxy-N-(2-methoxy-4,6-dimethylphenyl)-N-methylbutanamide
CID 115162917

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline?
The IUPAC name of N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline (CID 115261763) is N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline.
What is the SMILES notation for N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline?
The canonical SMILES for N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline is COc1cc(C)cc(C)c1N(C)CBr.
What is the InChIKey of N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline?
The InChIKey is ALHJPFZSZNLWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8-5-9(2)11(13(3)7-12)10(6-8)14-4/h5-6H,7H2,1-4H3.
What are the key properties of N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline?
N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline has a molecular weight of 258.16 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline is sourced from PubChem (CID 115261763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).