5-bromo-2-butoxybenzenecarboximidamide

C11H15BrN2O — CID 114893278

IUPAC5-bromo-2-butoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1OCCCC
InChIInChI=1S/C11H15BrN2O/c1-2-3-6-15-10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,2-3,6H2,1H3,(H3,13,14)
InChIKeyAOIWZAMVHZLPNN-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.91
Rot. Bonds5

About 5-bromo-2-butoxybenzenecarboximidamide

5-bromo-2-butoxybenzenecarboximidamide (PubChem CID 114893278) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-bromo-2-butoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-butoxybenzenecarboximidamide
PubChem CID114893278
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name5-bromo-2-butoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1OCCCC
InChIInChI=1S/C11H15BrN2O/c1-2-3-6-15-10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,2-3,6H2,1H3,(H3,13,14)
InChIKeyAOIWZAMVHZLPNN-UHFFFAOYSA-N
XLogP2.91
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.91
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'}

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Related Compounds

5-bromo-2-(4-ethoxyphenoxy)benzenecarboximidamide
CID 114893227
5-bromo-2-(4-butylphenoxy)benzenecarboximidamide
CID 114893367
5-methyl-2-octoxybenzenecarboximidamide
CID 107930759
2-pentoxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43275185
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 114893307
4-bromo-2-(2-ethylhexoxy)benzenecarboximidamide
CID 114904815
5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174838
5-bromo-2-(dibutylamino)benzenecarboximidamide
CID 114892850
4-bromo-1,2-dibutoxybenzene
CID 10870333
4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
2-bromo-4-heptoxybenzenecarboximidamide
CID 107279546

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxybenzenecarboximidamide?
The IUPAC name of 5-bromo-2-butoxybenzenecarboximidamide (CID 114893278) is 5-bromo-2-butoxybenzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-butoxybenzenecarboximidamide?
The canonical SMILES for 5-bromo-2-butoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1OCCCC.
What is the InChIKey of 5-bromo-2-butoxybenzenecarboximidamide?
The InChIKey is AOIWZAMVHZLPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-2-3-6-15-10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,2-3,6H2,1H3,(H3,13,14).
What are the key properties of 5-bromo-2-butoxybenzenecarboximidamide?
5-bromo-2-butoxybenzenecarboximidamide has a molecular weight of 271.16 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butoxybenzenecarboximidamide is sourced from PubChem (CID 114893278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).