4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide

C15H14N2O2 — CID 54216816

IUPAC4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc(OC)ccc2C=O)cc1
InChIInChI=1S/C15H14N2O2/c1-19-13-7-6-12(9-18)14(8-13)10-2-4-11(5-3-10)15(16)17/h2-9H,1H3,(H3,16,17)
InChIKeyNQRCSQCBRKCEIB-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.46
Rot. Bonds4

About 4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide

4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide (PubChem CID 54216816) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide
PubChem CID54216816
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc(OC)ccc2C=O)cc1
InChIInChI=1S/C15H14N2O2/c1-19-13-7-6-12(9-18)14(8-13)10-2-4-11(5-3-10)15(16)17/h2-9H,1H3,(H3,16,17)
InChIKeyNQRCSQCBRKCEIB-UHFFFAOYSA-N
XLogP2.46
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxynaphthalene-2-carboximidamide
CID 3274917
4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
CID 10957290
2-(4-bromophenyl)-4-methoxybenzenecarboximidamide
CID 69436393
4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650701
4-(2-methoxyphenyl)benzenecarboximidamide
CID 82287821
(4-carbamimidoylphenyl) 4-methoxybenzoate;hydrochloride
CID 138961462
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239
4-[[5-ethenyl-2-(4-formyl-3-methylphenyl)-4-methoxyphenyl]methylamino]benzenecarboximidamide
CID 143445901
4-[4-(3-oxopropoxy)phenyl]benzenecarboximidamide
CID 122548111
4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde
CID 172649224
4-[[3-[(4-carbamimidoylphenyl)methoxy]-5-methoxyphenoxy]methyl]benzenecarboximidamide
CID 156508325
4-aminooxybenzenecarboximidamide
CID 10441869

Frequently Asked Questions

What is the IUPAC name of 4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide?
The IUPAC name of 4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide (CID 54216816) is 4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide.
What is the SMILES notation for 4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide?
The canonical SMILES for 4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2cc(OC)ccc2C=O)cc1.
What is the InChIKey of 4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide?
The InChIKey is NQRCSQCBRKCEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-13-7-6-12(9-18)14(8-13)10-2-4-11(5-3-10)15(16)17/h2-9H,1H3,(H3,16,17).
What are the key properties of 4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide?
4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide has a molecular weight of 254.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide is sourced from PubChem (CID 54216816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).