2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine

C11H16BrNO — CID 61417709

IUPAC2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
SMILESCOc1ccccc1CN(C)CCBr
InChIInChI=1S/C11H16BrNO/c1-13(8-7-12)9-10-5-3-4-6-11(10)14-2/h3-6H,7-9H2,1-2H3
InChIKeyHILLWZBPQVWVFB-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.52
Rot. Bonds5

About 2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine

2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine (PubChem CID 61417709) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
PubChem CID61417709
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
SMILESCOc1ccccc1CN(C)CCBr
InChIInChI=1S/C11H16BrNO/c1-13(8-7-12)9-10-5-3-4-6-11(10)14-2/h3-6H,7-9H2,1-2H3
InChIKeyHILLWZBPQVWVFB-UHFFFAOYSA-N
XLogP2.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 55136357
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 80666884
3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 63628429
N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62555090
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 54983695
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 55070560
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62554444
N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435578
6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol
CID 106802333
1-(4-bromophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]ethanone
CID 60650801
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine?
The IUPAC name of 2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine (CID 61417709) is 2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine is COc1ccccc1CN(C)CCBr.
What is the InChIKey of 2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine?
The InChIKey is HILLWZBPQVWVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-13(8-7-12)9-10-5-3-4-6-11(10)14-2/h3-6H,7-9H2,1-2H3.
What are the key properties of 2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine?
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine has a molecular weight of 258.16 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 61417709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).