N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine

C9H13BrN2O — CID 115226503

IUPACN'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
SMILESCNCNc1cc(Br)ccc1OC
InChIInChI=1S/C9H13BrN2O/c1-11-6-12-8-5-7(10)3-4-9(8)13-2/h3-5,11-12H,6H2,1-2H3
InChIKeyRAGYSHANVKMGQX-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.05
Rot. Bonds4

About N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine

N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine (PubChem CID 115226503) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine.

Molecular Properties

Compound NameN'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
PubChem CID115226503
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC NameN'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
SMILESCNCNc1cc(Br)ccc1OC
InChIInChI=1S/C9H13BrN2O/c1-11-6-12-8-5-7(10)3-4-9(8)13-2/h3-5,11-12H,6H2,1-2H3
InChIKeyRAGYSHANVKMGQX-UHFFFAOYSA-N
XLogP2.05
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.05
H-Bond Donors ≤ 52
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

5-bromo-N-(2,2-dimethoxyethyl)-2-methoxyaniline
CID 63697779
N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine
CID 115226519
5-bromo-2-methoxy-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246032
5-bromo-2-methoxy-N-(3-methylbut-2-enyl)aniline
CID 107899816
5-bromo-2-methoxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554999
5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63456234
5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 61060558
1-(5-bromo-2-methoxyanilino)-3-methoxypropan-2-ol
CID 63929656
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methoxyaniline
CID 61060847
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine
CID 115226819

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine?
The IUPAC name of N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine (CID 115226503) is N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine.
What is the SMILES notation for N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine?
The canonical SMILES for N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine is CNCNc1cc(Br)ccc1OC.
What is the InChIKey of N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine?
The InChIKey is RAGYSHANVKMGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-11-6-12-8-5-7(10)3-4-9(8)13-2/h3-5,11-12H,6H2,1-2H3.
What are the key properties of N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine?
N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine has a molecular weight of 245.12 g/mol, XLogP of 2.05, 4 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)-N-methylmethanediamine is sourced from PubChem (CID 115226503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).