N-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine

C12H15Cl2N3O — CID 122097203

IUPACN-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NCCOc2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C12H15Cl2N3O/c1-8-7-16-12(17-8)15-4-5-18-9-2-3-10(13)11(14)6-9/h2-3,6,8H,4-5,7H2,1H3,(H2,15,16,17)
InChIKeyMIXLGLJITXPMAD-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.31
Rot. Bonds4

About N-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine

N-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 122097203) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID122097203
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC NameN-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NCCOc2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C12H15Cl2N3O/c1-8-7-16-12(17-8)15-4-5-18-9-2-3-10(13)11(14)6-9/h2-3,6,8H,4-5,7H2,1H3,(H2,15,16,17)
InChIKeyMIXLGLJITXPMAD-UHFFFAOYSA-N
XLogP2.31
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine 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

2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
1-[2-(3,4-dichlorophenoxy)ethyl]-4-methylpiperidin-1-ium
CID 7381393
N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine
CID 62484692
N-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 2581257
N-[2-(3,4-dichlorophenoxy)ethyl]acetamide
CID 51066305
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine
CID 62484864
2-[3-(3,4-dichlorophenoxy)propylamino]ethanol
CID 2581098
N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 63504887
N'-[2-(3,4-dichlorophenoxy)ethyl]propane-1,3-diamine
CID 2977619
4-(3,4-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 2298232
3-(3,4-dichlorophenoxy)propylcarbamic acid
CID 89477736

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (CID 122097203) is N-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is CC1CN=C(NCCOc2ccc(Cl)c(Cl)c2)N1.
What is the InChIKey of N-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is MIXLGLJITXPMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c1-8-7-16-12(17-8)15-4-5-18-9-2-3-10(13)11(14)6-9/h2-3,6,8H,4-5,7H2,1H3,(H2,15,16,17).
What are the key properties of N-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
N-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 288.18 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 122097203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).