N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide

C16H18N2O — CID 62048855

IUPACN'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide
SMILESCOc1ccc(CC/N=C(\N)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-19-15-9-7-13(8-10-15)11-12-18-16(17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,17,18)
InChIKeyRBKKGUOSVRYIGK-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.64
Rot. Bonds5

About N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide

N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide (PubChem CID 62048855) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide
PubChem CID62048855
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide
SMILESCOc1ccc(CC/N=C(\N)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-19-15-9-7-13(8-10-15)11-12-18-16(17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,17,18)
InChIKeyRBKKGUOSVRYIGK-UHFFFAOYSA-N
XLogP2.64
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.64
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'}

Analyze N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide
CID 55138229
2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine
CID 111024094
4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride
CID 3063603
1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide
CID 15258622
1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111072148
N'-(2-thiophen-3-ylethyl)benzenecarboximidamide
CID 63177343
N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide
CID 132564986
N'-[2-(methylamino)ethyl]benzenecarboximidamide
CID 89222579
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-[2-(4-methoxyphenyl)ethyl]-2-(3-phenylpropyl)guanidine;hydroiodide
CID 110924943
N'-[2-(2-methoxyethoxy)ethyl]benzenecarboximidamide
CID 63176381

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide?
The IUPAC name of N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide (CID 62048855) is N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide?
The canonical SMILES for N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide is COc1ccc(CC/N=C(\N)c2ccccc2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide?
The InChIKey is RBKKGUOSVRYIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-15-9-7-13(8-10-15)11-12-18-16(17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,17,18).
What are the key properties of N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide?
N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide has a molecular weight of 254.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide is sourced from PubChem (CID 62048855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).