4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide

C15H23BrN2O — CID 114904815

IUPAC4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1OCC(CC)CCCC
InChIInChI=1S/C15H23BrN2O/c1-3-5-6-11(4-2)10-19-14-9-12(16)7-8-13(14)15(17)18/h7-9,11H,3-6,10H2,1-2H3,(H3,17,18)
InChIKeyIMEHIHJXBXKHDY-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.33
Rot. Bonds8

About 4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide

4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide (PubChem CID 114904815) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide
PubChem CID114904815
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1OCC(CC)CCCC
InChIInChI=1S/C15H23BrN2O/c1-3-5-6-11(4-2)10-19-14-9-12(16)7-8-13(14)15(17)18/h7-9,11H,3-6,10H2,1-2H3,(H3,17,18)
InChIKeyIMEHIHJXBXKHDY-UHFFFAOYSA-N
XLogP4.33
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(2-ethylhexoxy)benzenecarbothioamide
CID 83144919
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
CID 169014033
1-[5-bromo-2-(2-ethylhexoxy)phenyl]ethanone
CID 63530428
1-[5-bromo-2-(2-ethylhexoxy)phenyl]butan-2-amine
CID 63420992
2-(2-ethylhexoxy)-4-methoxybenzenecarbothioamide
CID 81303744
2-(2-ethylhexoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 63523815
2-(2-ethylhexoxymethyl)-5-fluorobenzenecarboximidamide
CID 63290946
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
CID 114893227
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
5-bromo-2-(4-butylphenoxy)benzenecarboximidamide
CID 114893367

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide?
The IUPAC name of 4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide (CID 114904815) is 4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1OCC(CC)CCCC.
What is the InChIKey of 4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide?
The InChIKey is IMEHIHJXBXKHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-5-6-11(4-2)10-19-14-9-12(16)7-8-13(14)15(17)18/h7-9,11H,3-6,10H2,1-2H3,(H3,17,18).
What are the key properties of 4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide?
4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide has a molecular weight of 327.27 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide is sourced from PubChem (CID 114904815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).