1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine

C14H18ClN3O — CID 106555475

IUPAC1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCNc1nc(C)cn1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H18ClN3O/c1-10-4-5-12(8-13(10)15)18-9-11(2)17-14(18)16-6-7-19-3/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)
InChIKeyGSDVGCIWYNNYOB-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.20
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine

1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106555475) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106555475
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCNc1nc(C)cn1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C14H18ClN3O/c1-10-4-5-12(8-13(10)15)18-9-11(2)17-14(18)16-6-7-19-3/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)
InChIKeyGSDVGCIWYNNYOB-UHFFFAOYSA-N
XLogP3.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
1-(4-chloro-3-methoxyphenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 107623862
1-(3-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106555476
1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554124
1-(3-chloro-4-methylphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106555482
1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 107618219
1-(2-bromo-6-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 107618196
1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106558787
1-(2,5-dibromophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106566380
1-(2-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106558908
N-(2-methoxyethyl)-4-methyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556809
1-(2,3-difluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106563610

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106555475) is 1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCNc1nc(C)cn1-c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is GSDVGCIWYNNYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10-4-5-12(8-13(10)15)18-9-11(2)17-14(18)16-6-7-19-3/h4-5,8-9H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 279.77 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106555475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).