N'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide

C19H23ClN2O — CID 54380002

IUPACN'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide
SMILESCc1cccc(C/C(N)=N/CC(C)OCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H23ClN2O/c1-14-5-3-6-16(9-14)11-19(21)22-12-15(2)23-13-17-7-4-8-18(20)10-17/h3-10,15H,11-13H2,1-2H3,(H2,21,22)
InChIKeyUZFXTIRNVVIBLO-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.15
Rot. Bonds7

About N'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide

N'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide (PubChem CID 54380002) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide
PubChem CID54380002
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide
SMILESCc1cccc(C/C(N)=N/CC(C)OCc2cccc(Cl)c2)c1
InChIInChI=1S/C19H23ClN2O/c1-14-5-3-6-16(9-14)11-19(21)22-12-15(2)23-13-17-7-4-8-18(20)10-17/h3-10,15H,11-13H2,1-2H3,(H2,21,22)
InChIKeyUZFXTIRNVVIBLO-UHFFFAOYSA-N
XLogP4.15
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.15
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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Related Compounds

N'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide
CID 70693458
2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 63181484
1-methyl-3-(propan-2-yloxymethyl)benzene
CID 10464662
2-(3-chlorophenyl)-N'-hydroxyethanimidamide
CID 16775239
N'-(5-chloro-2-methylphenyl)-2-(3-chlorophenyl)ethanimidamide
CID 67954454
4-chloro-N'-hydroxy-2-[(3-methylphenyl)methylsulfanyl]benzenecarboximidamide
CID 76984999
1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 55031626
(1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947420
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-tert-butyl-4-[(3-chlorophenyl)methoxy]pentan-1-amine
CID 65125164
4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 67362285
(E)-3-methyl-N-[(E)-1-(3-methylphenyl)propan-2-ylideneamino]butan-2-imine
CID 143519317

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide?
The IUPAC name of N'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide (CID 54380002) is N'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide.
What is the SMILES notation for N'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide?
The canonical SMILES for N'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide is Cc1cccc(C/C(N)=N/CC(C)OCc2cccc(Cl)c2)c1.
What is the InChIKey of N'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide?
The InChIKey is UZFXTIRNVVIBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-14-5-3-6-16(9-14)11-19(21)22-12-15(2)23-13-17-7-4-8-18(20)10-17/h3-10,15H,11-13H2,1-2H3,(H2,21,22).
What are the key properties of N'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide?
N'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide has a molecular weight of 330.86 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide is sourced from PubChem (CID 54380002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).