1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine

C11H15Br2NO3 — CID 82715534

IUPAC1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1cc(Br)c(OC)c(Br)c1
InChIInChI=1S/C11H15Br2NO3/c1-15-3-4-17-14-7-8-5-9(12)11(16-2)10(13)6-8/h5-6,14H,3-4,7H2,1-2H3
InChIKeyZYCXLJGPRMXZGI-UHFFFAOYSA-N
MW369.05 g/mol
LogP2.89
Rot. Bonds7

About 1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine

1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine (PubChem CID 82715534) has the molecular formula C11H15Br2NO3 and a molecular weight of 369.05 g/mol. Its IUPAC name is 1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine.

Molecular Properties

Compound Name1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine
PubChem CID82715534
Molecular FormulaC11H15Br2NO3
Molecular Weight369.05 g/mol
Exact Mass366.94
IUPAC Name1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine
SMILESCOCCONCc1cc(Br)c(OC)c(Br)c1
InChIInChI=1S/C11H15Br2NO3/c1-15-3-4-17-14-7-8-5-9(12)11(16-2)10(13)6-8/h5-6,14H,3-4,7H2,1-2H3
InChIKeyZYCXLJGPRMXZGI-UHFFFAOYSA-N
XLogP2.89
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.05
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine
CID 82709759
N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine
CID 82714412
1-(2-bromo-4,5-dimethoxyphenyl)-N-(2-methoxyethoxy)methanamine
CID 82710693
N-(2-methoxyethoxy)-1-[4-(methoxymethyl)phenyl]methanamine
CID 82710687
3-[(3,5-dibromo-4-methoxyphenyl)methylamino]propanoic acid
CID 43774814
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 63454431
3-[(3,5-dibromo-4-methoxyphenyl)methylamino]propan-1-ol
CID 43770585
4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol
CID 115603288
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569070
1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 107741642
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295767
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43225545

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine?
The IUPAC name of 1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine (CID 82715534) is 1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine.
What is the SMILES notation for 1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine?
The canonical SMILES for 1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine is COCCONCc1cc(Br)c(OC)c(Br)c1.
What is the InChIKey of 1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine?
The InChIKey is ZYCXLJGPRMXZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO3/c1-15-3-4-17-14-7-8-5-9(12)11(16-2)10(13)6-8/h5-6,14H,3-4,7H2,1-2H3.
What are the key properties of 1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine?
1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine has a molecular weight of 369.05 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-4-methoxyphenyl)-N-(2-methoxyethoxy)methanamine is sourced from PubChem (CID 82715534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).