N'-(4-bromo-3-methoxyphenyl)propanimidamide

C10H13BrN2O — CID 82859122

IUPACN'-(4-bromo-3-methoxyphenyl)propanimidamide
SMILESCC/C(N)=N\c1ccc(Br)c(OC)c1
InChIInChI=1S/C10H13BrN2O/c1-3-10(12)13-7-4-5-8(11)9(6-7)14-2/h4-6H,3H2,1-2H3,(H2,12,13)
InChIKeyIPNIHAAIMSKIMQ-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.86
Rot. Bonds3

About N'-(4-bromo-3-methoxyphenyl)propanimidamide

N'-(4-bromo-3-methoxyphenyl)propanimidamide (PubChem CID 82859122) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is N'-(4-bromo-3-methoxyphenyl)propanimidamide.

Molecular Properties

Compound NameN'-(4-bromo-3-methoxyphenyl)propanimidamide
PubChem CID82859122
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC NameN'-(4-bromo-3-methoxyphenyl)propanimidamide
SMILESCC/C(N)=N\c1ccc(Br)c(OC)c1
InChIInChI=1S/C10H13BrN2O/c1-3-10(12)13-7-4-5-8(11)9(6-7)14-2/h4-6H,3H2,1-2H3,(H2,12,13)
InChIKeyIPNIHAAIMSKIMQ-UHFFFAOYSA-N
XLogP2.86
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.86
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-3-methoxyphenyl)propanimidamide?
The IUPAC name of N'-(4-bromo-3-methoxyphenyl)propanimidamide (CID 82859122) is N'-(4-bromo-3-methoxyphenyl)propanimidamide.
What is the SMILES notation for N'-(4-bromo-3-methoxyphenyl)propanimidamide?
The canonical SMILES for N'-(4-bromo-3-methoxyphenyl)propanimidamide is CC/C(N)=N\c1ccc(Br)c(OC)c1.
What is the InChIKey of N'-(4-bromo-3-methoxyphenyl)propanimidamide?
The InChIKey is IPNIHAAIMSKIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-3-10(12)13-7-4-5-8(11)9(6-7)14-2/h4-6H,3H2,1-2H3,(H2,12,13).
What are the key properties of N'-(4-bromo-3-methoxyphenyl)propanimidamide?
N'-(4-bromo-3-methoxyphenyl)propanimidamide has a molecular weight of 257.13 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-3-methoxyphenyl)propanimidamide is sourced from PubChem (CID 82859122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).