N'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide

C17H19ClN2O — CID 70693458

IUPACN'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide
SMILESCc1cccc(C/C(N)=N/CCOc2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O/c1-13-4-2-5-14(10-13)11-17(19)20-8-9-21-16-7-3-6-15(18)12-16/h2-7,10,12H,8-9,11H2,1H3,(H2,19,20)
InChIKeyOPNBBUUVTJINFU-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.63
Rot. Bonds6

About N'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide

N'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide (PubChem CID 70693458) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide
PubChem CID70693458
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide
SMILESCc1cccc(C/C(N)=N/CCOc2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O/c1-13-4-2-5-14(10-13)11-17(19)20-8-9-21-16-7-3-6-15(18)12-16/h2-7,10,12H,8-9,11H2,1H3,(H2,19,20)
InChIKeyOPNBBUUVTJINFU-UHFFFAOYSA-N
XLogP3.63
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 63181484
N'-[2-[(3-chlorophenyl)methoxy]propyl]-2-(3-methylphenyl)ethanimidamide
CID 54380002
2-[2-(3-chlorophenoxy)ethyl]-1,1-diethylguanidine;hydroiodide
CID 111071432
1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112970737
1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 64869053
1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 62364211
1,1-diethyl-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 75534622
N'-[2-(3-chlorophenoxy)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920552
[1-(3-chlorophenoxy)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105284980
2-[2-(3-chlorophenoxy)ethyl]-1-cyclohexylguanidine
CID 111071423
2-(3-chlorophenyl)-N'-hydroxyethanimidamide
CID 16775239
1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 62369394

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide?
The IUPAC name of N'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide (CID 70693458) is N'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide.
What is the SMILES notation for N'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide?
The canonical SMILES for N'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide is Cc1cccc(C/C(N)=N/CCOc2cccc(Cl)c2)c1.
What is the InChIKey of N'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide?
The InChIKey is OPNBBUUVTJINFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13-4-2-5-14(10-13)11-17(19)20-8-9-21-16-7-3-6-15(18)12-16/h2-7,10,12H,8-9,11H2,1H3,(H2,19,20).
What are the key properties of N'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide?
N'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide has a molecular weight of 302.81 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-chlorophenoxy)ethyl]-2-(3-methylphenyl)ethanimidamide is sourced from PubChem (CID 70693458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).