2-(4-bromophenyl)-4-methoxybenzenecarboximidamide

C14H13BrN2O — CID 69436393

IUPAC2-(4-bromophenyl)-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1-c1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O/c1-18-11-6-7-12(14(16)17)13(8-11)9-2-4-10(15)5-3-9/h2-8H,1H3,(H3,16,17)
InChIKeyFUJMBXKFVJPRCE-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.41
Rot. Bonds3

About 2-(4-bromophenyl)-4-methoxybenzenecarboximidamide

2-(4-bromophenyl)-4-methoxybenzenecarboximidamide (PubChem CID 69436393) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-methoxybenzenecarboximidamide
PubChem CID69436393
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name2-(4-bromophenyl)-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1-c1ccc(Br)cc1
InChIInChI=1S/C14H13BrN2O/c1-18-11-6-7-12(14(16)17)13(8-11)9-2-4-10(15)5-3-9/h2-8H,1H3,(H3,16,17)
InChIKeyFUJMBXKFVJPRCE-UHFFFAOYSA-N
XLogP3.41
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.41
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

2,4-dimethoxybenzenecarboximidamide
CID 4138242
4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 114905157
2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide
CID 81303045
2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide
CID 81303138
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853
4-[(4-bromophenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791107
3-(4-methoxyphenyl)-2-sulfanylbenzenecarboximidamide
CID 174903596
2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide
CID 81303223
4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide
CID 54216816
2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide
CID 82823793
4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 81302880
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-(4-bromophenyl)-4-methoxybenzenecarboximidamide (CID 69436393) is 2-(4-bromophenyl)-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-(4-bromophenyl)-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-(4-bromophenyl)-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-methoxybenzenecarboximidamide?
The InChIKey is FUJMBXKFVJPRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-18-11-6-7-12(14(16)17)13(8-11)9-2-4-10(15)5-3-9/h2-8H,1H3,(H3,16,17).
What are the key properties of 2-(4-bromophenyl)-4-methoxybenzenecarboximidamide?
2-(4-bromophenyl)-4-methoxybenzenecarboximidamide has a molecular weight of 305.18 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 69436393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).