1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine

C10H13Br2NO2 — CID 82709759

IUPAC1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine
SMILESCCONCc1cc(Br)c(OC)c(Br)c1
InChIInChI=1S/C10H13Br2NO2/c1-3-15-13-6-7-4-8(11)10(14-2)9(12)5-7/h4-5,13H,3,6H2,1-2H3
InChIKeyWIHNAVBBNKWBTE-UHFFFAOYSA-N
MW339.03 g/mol
LogP3.26
Rot. Bonds5

About 1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine

1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine (PubChem CID 82709759) has the molecular formula C10H13Br2NO2 and a molecular weight of 339.03 g/mol. Its IUPAC name is 1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine
PubChem CID82709759
Molecular FormulaC10H13Br2NO2
Molecular Weight339.03 g/mol
Exact Mass336.93
IUPAC Name1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine
SMILESCCONCc1cc(Br)c(OC)c(Br)c1
InChIInChI=1S/C10H13Br2NO2/c1-3-15-13-6-7-4-8(11)10(14-2)9(12)5-7/h4-5,13H,3,6H2,1-2H3
InChIKeyWIHNAVBBNKWBTE-UHFFFAOYSA-N
XLogP3.26
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.03
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methoxyethoxy)methanamine
CID 82715534
1-(4-bromophenyl)-N-ethoxymethanamine
CID 60702671
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 63454431
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 102610287
3-[(3,5-dibromo-4-methoxyphenyl)methylamino]propan-1-ol
CID 43770585
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569070
4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol
CID 115603288
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271022
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454771
2-chloro-N-[(3,5-dibromo-4-methoxyphenyl)methyl]prop-2-en-1-amine
CID 115702633
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352809
N-[(3,5-dibromo-4-methoxyphenyl)methyl]cycloheptanamine
CID 29223558

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine?
The IUPAC name of 1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine (CID 82709759) is 1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine?
The canonical SMILES for 1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine is CCONCc1cc(Br)c(OC)c(Br)c1.
What is the InChIKey of 1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine?
The InChIKey is WIHNAVBBNKWBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2/c1-3-15-13-6-7-4-8(11)10(14-2)9(12)5-7/h4-5,13H,3,6H2,1-2H3.
What are the key properties of 1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine?
1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine has a molecular weight of 339.03 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine is sourced from PubChem (CID 82709759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).