2-bromo-6-octoxybenzenecarboximidamide

C15H23BrN2O — CID 114884017

IUPAC2-bromo-6-octoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1OCCCCCCCC
InChIInChI=1S/C15H23BrN2O/c1-2-3-4-5-6-7-11-19-13-10-8-9-12(16)14(13)15(17)18/h8-10H,2-7,11H2,1H3,(H3,17,18)
InChIKeyXMGHJMJPVSRLNG-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.47
Rot. Bonds9

About 2-bromo-6-octoxybenzenecarboximidamide

2-bromo-6-octoxybenzenecarboximidamide (PubChem CID 114884017) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-bromo-6-octoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-octoxybenzenecarboximidamide
PubChem CID114884017
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-bromo-6-octoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1OCCCCCCCC
InChIInChI=1S/C15H23BrN2O/c1-2-3-4-5-6-7-11-19-13-10-8-9-12(16)14(13)15(17)18/h8-10H,2-7,11H2,1H3,(H3,17,18)
InChIKeyXMGHJMJPVSRLNG-UHFFFAOYSA-N
XLogP4.47
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-bromo-6-octoxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-6-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 114884059
2-bromo-6-(4-butan-2-ylphenoxy)benzenecarboximidamide
CID 107665095
2-bromo-4-heptoxybenzenecarboximidamide
CID 107279546
2-bromo-4-octoxybenzenecarboximidamide
CID 107279553
2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide
CID 114883946
2-amino-6-bromobenzenecarboximidamide
CID 114883758
2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 114884034
5-methyl-2-octoxybenzenecarboximidamide
CID 107930759
6-heptoxypyridine-2-carboximidamide
CID 64594210
2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide
CID 114883994
2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide
CID 114883463
4-octoxybenzenecarboximidamide
CID 3302492

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-octoxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-octoxybenzenecarboximidamide (CID 114884017) is 2-bromo-6-octoxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-octoxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-octoxybenzenecarboximidamide is [H]/N=C(\N)c1c(Br)cccc1OCCCCCCCC.
What is the InChIKey of 2-bromo-6-octoxybenzenecarboximidamide?
The InChIKey is XMGHJMJPVSRLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-2-3-4-5-6-7-11-19-13-10-8-9-12(16)14(13)15(17)18/h8-10H,2-7,11H2,1H3,(H3,17,18).
What are the key properties of 2-bromo-6-octoxybenzenecarboximidamide?
2-bromo-6-octoxybenzenecarboximidamide has a molecular weight of 327.27 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-octoxybenzenecarboximidamide is sourced from PubChem (CID 114884017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).