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

C10H15BrN2O — CID 115226819

IUPACN'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine
SMILESCNCNCc1cc(Br)ccc1OC
InChIInChI=1S/C10H15BrN2O/c1-12-7-13-6-8-5-9(11)3-4-10(8)14-2/h3-5,12-13H,6-7H2,1-2H3
InChIKeyOORIUEFVXSNMTC-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.72
Rot. Bonds5

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

N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine (PubChem CID 115226819) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine
PubChem CID115226819
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC NameN'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine
SMILESCNCNCc1cc(Br)ccc1OC
InChIInChI=1S/C10H15BrN2O/c1-12-7-13-6-8-5-9(11)3-4-10(8)14-2/h3-5,12-13H,6-7H2,1-2H3
InChIKeyOORIUEFVXSNMTC-UHFFFAOYSA-N
XLogP1.72
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261862
2-[(5-bromo-2-methoxyphenyl)methylamino]acetaldehyde
CID 115222898
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
CID 106844843
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine
CID 61400743
N-[(5-bromo-2-methoxyphenyl)methyl]-4-chlorobutan-1-amine
CID 106844337
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(5-bromothiophen-2-yl)methanamine
CID 60743719
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17289791
3-N-[(5-bromo-2-methoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119678
(E)-N-[(5-bromo-2-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629087
3-[(5-bromo-2-methoxyphenyl)methylamino]-2-(methylamino)propanoic acid
CID 115256091
1-[(5-bromo-2-methoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119237

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine?
The IUPAC name of N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine (CID 115226819) is N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine?
The canonical SMILES for N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine is CNCNCc1cc(Br)ccc1OC.
What is the InChIKey of N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine?
The InChIKey is OORIUEFVXSNMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-12-7-13-6-8-5-9(11)3-4-10(8)14-2/h3-5,12-13H,6-7H2,1-2H3.
What are the key properties of N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine?
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine has a molecular weight of 259.15 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine is sourced from PubChem (CID 115226819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).