N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine

C15H19N3O — CID 106555768

IUPACN-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1Nc1ccc(OCC)cc1
InChIInChI=1S/C15H19N3O/c1-4-10-18-11-12(3)16-15(18)17-13-6-8-14(9-7-13)19-5-2/h4,6-9,11H,1,5,10H2,2-3H3,(H,16,17)
InChIKeyDCTFRMWNBISNNY-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.52
Rot. Bonds6

About N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine

N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine (PubChem CID 106555768) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
PubChem CID106555768
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1Nc1ccc(OCC)cc1
InChIInChI=1S/C15H19N3O/c1-4-10-18-11-12(3)16-15(18)17-13-6-8-14(9-7-13)19-5-2/h4,6-9,11H,1,5,10H2,2-3H3,(H,16,17)
InChIKeyDCTFRMWNBISNNY-UHFFFAOYSA-N
XLogP3.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine
CID 106560821
N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106561159
N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 107623858
1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566734
4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine
CID 106554780
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106569082
N-(4-butylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106561516
2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine
CID 106566233
N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106576421
1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine
CID 106561131
3-(4-ethoxyanilino)-4-(4-ethoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110588014

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine (CID 106555768) is N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1Nc1ccc(OCC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The InChIKey is DCTFRMWNBISNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-10-18-11-12(3)16-15(18)17-13-6-8-14(9-7-13)19-5-2/h4,6-9,11H,1,5,10H2,2-3H3,(H,16,17).
What are the key properties of N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106555768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).