N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine

C11H17BrN2O — CID 115226195

IUPACN'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine
SMILESCOc1ccc(Br)cc1CCN(C)CN
InChIInChI=1S/C11H17BrN2O/c1-14(8-13)6-5-9-7-10(12)3-4-11(9)15-2/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyWZRMLKYGHVTDTM-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.85
Rot. Bonds5

About N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine

N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine (PubChem CID 115226195) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine
PubChem CID115226195
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC NameN'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine
SMILESCOc1ccc(Br)cc1CCN(C)CN
InChIInChI=1S/C11H17BrN2O/c1-14(8-13)6-5-9-7-10(12)3-4-11(9)15-2/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyWZRMLKYGHVTDTM-UHFFFAOYSA-N
XLogP1.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201513
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine
CID 115226171
2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260219
2-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-N,3-dimethylbutane-1,2-diamine
CID 115138344
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115207139
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine
CID 782861
4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115155486
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-hydroxy-N-methylpropanamide
CID 115139416
(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
CID 94231283
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine
CID 55026913

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine?
The IUPAC name of N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine (CID 115226195) is N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine.
What is the SMILES notation for N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine?
The canonical SMILES for N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine is COc1ccc(Br)cc1CCN(C)CN.
What is the InChIKey of N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine?
The InChIKey is WZRMLKYGHVTDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-14(8-13)6-5-9-7-10(12)3-4-11(9)15-2/h3-4,7H,5-6,8,13H2,1-2H3.
What are the key properties of N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine?
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine has a molecular weight of 273.17 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine is sourced from PubChem (CID 115226195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).