2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine

C16H23N3O — CID 95475760

IUPAC2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine
SMILESCc1nc(-c2ccc(OC(C)(C)C)cc2)cn1CCN
InChIInChI=1S/C16H23N3O/c1-12-18-15(11-19(12)10-9-17)13-5-7-14(8-6-13)20-16(2,3)4/h5-8,11H,9-10,17H2,1-4H3
InChIKeyKWWOGZPELJTHOU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.99
Rot. Bonds4

About 2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine

2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine (PubChem CID 95475760) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine
PubChem CID95475760
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine
SMILESCc1nc(-c2ccc(OC(C)(C)C)cc2)cn1CCN
InChIInChI=1S/C16H23N3O/c1-12-18-15(11-19(12)10-9-17)13-5-7-14(8-6-13)20-16(2,3)4/h5-8,11H,9-10,17H2,1-4H3
InChIKeyKWWOGZPELJTHOU-UHFFFAOYSA-N
XLogP2.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine (CID 95475760) is 2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine is Cc1nc(-c2ccc(OC(C)(C)C)cc2)cn1CCN.
What is the InChIKey of 2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine?
The InChIKey is KWWOGZPELJTHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-18-15(11-19(12)10-9-17)13-5-7-14(8-6-13)20-16(2,3)4/h5-8,11H,9-10,17H2,1-4H3.
What are the key properties of 2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine?
2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 95475760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).