2-(4-benzylphenoxy)propanimidamide

C16H18N2O — CID 55054330

IUPAC2-(4-benzylphenoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-12(16(17)18)19-15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,17,18)
InChIKeyNBKPDHVZNGFKNY-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.98
Rot. Bonds5

About 2-(4-benzylphenoxy)propanimidamide

2-(4-benzylphenoxy)propanimidamide (PubChem CID 55054330) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(4-benzylphenoxy)propanimidamide.

Molecular Properties

Compound Name2-(4-benzylphenoxy)propanimidamide
PubChem CID55054330
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-(4-benzylphenoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)Oc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-12(16(17)18)19-15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,17,18)
InChIKeyNBKPDHVZNGFKNY-UHFFFAOYSA-N
XLogP2.98
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.98
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-[3-(methoxymethyl)phenoxy]propanimidamide
CID 63984205
3-(4-benzylphenoxy)propanimidamide
CID 62274046
2-(4-benzylphenoxy)-N-methylpropan-1-amine
CID 62441040
2-(4-chloro-3-fluorophenoxy)propanimidamide
CID 82716648
3-phenoxybutanimidamide
CID 114995804
2-[benzyl(2-methoxyethyl)amino]propanimidamide
CID 130767445
4-(4-benzylphenoxy)-N-methylpentan-2-amine
CID 64720908
2-[4-(2-amino-2-imino-1-phenoxyethyl)phenyl]-2-phenoxyethanimidamide;dihydrochloride
CID 175108537
methyl (2Z)-2-[(4-benzylphenyl)methylidene]-3-phenoxybutanoate
CID 165157646
methyl 2-(4-benzylphenoxy)but-3-enoate
CID 132597591
2-fluoro-3-phenylpropanimidamide
CID 18356520
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenoxy)propanimidamide?
The IUPAC name of 2-(4-benzylphenoxy)propanimidamide (CID 55054330) is 2-(4-benzylphenoxy)propanimidamide.
What is the SMILES notation for 2-(4-benzylphenoxy)propanimidamide?
The canonical SMILES for 2-(4-benzylphenoxy)propanimidamide is [H]/N=C(\N)C(C)Oc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 2-(4-benzylphenoxy)propanimidamide?
The InChIKey is NBKPDHVZNGFKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(16(17)18)19-15-9-7-14(8-10-15)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,17,18).
What are the key properties of 2-(4-benzylphenoxy)propanimidamide?
2-(4-benzylphenoxy)propanimidamide has a molecular weight of 254.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenoxy)propanimidamide is sourced from PubChem (CID 55054330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).