1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine

C14H19N3O — CID 106566744

IUPAC1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine
SMILESCCNc1nc(C)cn1-c1cccc(OCC)c1
InChIInChI=1S/C14H19N3O/c1-4-15-14-16-11(3)10-17(14)12-7-6-8-13(9-12)18-5-2/h6-10H,4-5H2,1-3H3,(H,15,16)
InChIKeyPGXWEQOEOWRPHQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.01
Rot. Bonds5

About 1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine

1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine (PubChem CID 106566744) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine
PubChem CID106566744
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine
SMILESCCNc1nc(C)cn1-c1cccc(OCC)c1
InChIInChI=1S/C14H19N3O/c1-4-15-14-16-11(3)10-17(14)12-7-6-8-13(9-12)18-5-2/h6-10H,4-5H2,1-3H3,(H,15,16)
InChIKeyPGXWEQOEOWRPHQ-UHFFFAOYSA-N
XLogP3.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(3-fluorophenyl)-4-methylimidazol-2-amine
CID 106558438
N-cyclopentyl-1-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566756
N-ethyl-4-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106568290
1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559811
1-(3-methoxyphenyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106559929
N-ethyl-1-(4-methoxy-2-methylphenyl)-4-methylimidazol-2-amine
CID 106570507
N-ethyl-4-methyl-1-(1-methylpyrazol-4-yl)imidazol-2-amine
CID 106562115
N-cyclopropyl-1-(4-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106555778
1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566734
4-methyl-N-(2-methylpropyl)-1-phenylimidazol-2-amine
CID 106554707
N-(2-methoxy-2-methylpropyl)-4-methyl-1-phenylimidazol-2-amine
CID 106581312
4-methyl-N-propan-2-yl-1-(3-propan-2-ylphenyl)imidazol-2-amine
CID 106560995

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine (CID 106566744) is 1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine is CCNc1nc(C)cn1-c1cccc(OCC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine?
The InChIKey is PGXWEQOEOWRPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-15-14-16-11(3)10-17(14)12-7-6-8-13(9-12)18-5-2/h6-10H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine?
1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine has a molecular weight of 245.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106566744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).