1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine

C16H23N3O — CID 114703108

IUPAC1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCCOc1ccccc1-n1cncc1C(N)CC(C)C
InChIInChI=1S/C16H23N3O/c1-4-20-16-8-6-5-7-14(16)19-11-18-10-15(19)13(17)9-12(2)3/h5-8,10-13H,4,9,17H2,1-3H3
InChIKeyRHPVSZORDRJFPH-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.32
Rot. Bonds6

About 1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine

1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 114703108) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID114703108
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCCOc1ccccc1-n1cncc1C(N)CC(C)C
InChIInChI=1S/C16H23N3O/c1-4-20-16-8-6-5-7-14(16)19-11-18-10-15(19)13(17)9-12(2)3/h5-8,10-13H,4,9,17H2,1-3H3
InChIKeyRHPVSZORDRJFPH-UHFFFAOYSA-N
XLogP3.32
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine (CID 114703108) is 1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine is CCOc1ccccc1-n1cncc1C(N)CC(C)C.
What is the InChIKey of 1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is RHPVSZORDRJFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-20-16-8-6-5-7-14(16)19-11-18-10-15(19)13(17)9-12(2)3/h5-8,10-13H,4,9,17H2,1-3H3.
What are the key properties of 1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 114703108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).