N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline

C11H16BrNO — CID 115261698

IUPACN-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline
SMILESCOc1cc(C)c(C)cc1N(C)CBr
InChIInChI=1S/C11H16BrNO/c1-8-5-10(13(3)7-12)11(14-4)6-9(8)2/h5-6H,7H2,1-4H3
InChIKeyVLGIFMTXZVRINA-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.10
Rot. Bonds3

About N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline

N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline (PubChem CID 115261698) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline.

Molecular Properties

Compound NameN-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline
PubChem CID115261698
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC NameN-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline
SMILESCOc1cc(C)c(C)cc1N(C)CBr
InChIInChI=1S/C11H16BrNO/c1-8-5-10(13(3)7-12)11(14-4)6-9(8)2/h5-6H,7H2,1-4H3
InChIKeyVLGIFMTXZVRINA-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

(2-methoxy-N,4,5-trimethylanilino)methanethiol
CID 115227745
2-methoxy-N,N,4,5-tetramethylaniline
CID 117043608
N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline
CID 115261763
N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline
CID 115261714
3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol
CID 115121985
N-(2-methoxy-4,5-dimethylphenyl)-N-methylacetamide
CID 115190996
N-(2-chloroethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115214731
2-[(2-methoxy-N,4,5-trimethylanilino)methyl]butanenitrile
CID 115253639
2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244616
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol
CID 115217502
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-2-one
CID 115235537
2-(4-methoxy-N,2,5-trimethylanilino)ethanol
CID 115216098

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline?
The IUPAC name of N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline (CID 115261698) is N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline.
What is the SMILES notation for N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline?
The canonical SMILES for N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline is COc1cc(C)c(C)cc1N(C)CBr.
What is the InChIKey of N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline?
The InChIKey is VLGIFMTXZVRINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8-5-10(13(3)7-12)11(14-4)6-9(8)2/h5-6H,7H2,1-4H3.
What are the key properties of N-(bromomethyl)-2-methoxy-N,4,5-trimethylaniline?
N-(bromomethyl)-2-methoxy-N,4,5-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,4,5-trimethylaniline is sourced from PubChem (CID 115261698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).