1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine

C16H23N3O — CID 106563808

IUPAC1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cccc(OCCn2ccnc2NCC(C)C)c1
InChIInChI=1S/C16H23N3O/c1-13(2)12-18-16-17-7-8-19(16)9-10-20-15-6-4-5-14(3)11-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,17,18)
InChIKeyABYXWGCHFFDVLW-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.34
Rot. Bonds7

About 1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine

1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106563808) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106563808
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cccc(OCCn2ccnc2NCC(C)C)c1
InChIInChI=1S/C16H23N3O/c1-13(2)12-18-16-17-7-8-19(16)9-10-20-15-6-4-5-14(3)11-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,17,18)
InChIKeyABYXWGCHFFDVLW-UHFFFAOYSA-N
XLogP3.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-N-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563271
N-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)imidazol-2-amine
CID 106563117
(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 55191298
1-(2-methoxyethyl)-N-(3-methyl-2-propan-2-ylbutyl)imidazol-2-amine
CID 106582922
N-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579152
2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62446843
[1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine
CID 105321937
1-(3-cyclopropylpropyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106582547
1-(2-cyclohexylethyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106563373
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-[2-(3-methylcyclohexyl)ethyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106574387
N-(2-methylpropyl)-1-(quinolin-8-ylmethyl)imidazol-2-amine
CID 106577448

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine (CID 106563808) is 1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine is Cc1cccc(OCCn2ccnc2NCC(C)C)c1.
What is the InChIKey of 1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is ABYXWGCHFFDVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)12-18-16-17-7-8-19(16)9-10-20-15-6-4-5-14(3)11-15/h4-8,11,13H,9-10,12H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine?
1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenoxy)ethyl]-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106563808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).