[2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine

C15H21N3O — CID 106785903

IUPAC[2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
SMILESCOc1cc(Cn2ccnc2C(C)C)ccc1CN
InChIInChI=1S/C15H21N3O/c1-11(2)15-17-6-7-18(15)10-12-4-5-13(9-16)14(8-12)19-3/h4-8,11H,9-10,16H2,1-3H3
InChIKeyGLUUGZUTRQPFIW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.52
Rot. Bonds5

About [2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine

[2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine (PubChem CID 106785903) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
PubChem CID106785903
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
SMILESCOc1cc(Cn2ccnc2C(C)C)ccc1CN
InChIInChI=1S/C15H21N3O/c1-11(2)15-17-6-7-18(15)10-12-4-5-13(9-16)14(8-12)19-3/h4-8,11H,9-10,16H2,1-3H3
InChIKeyGLUUGZUTRQPFIW-UHFFFAOYSA-N
XLogP2.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine (CID 106785903) is [2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine is COc1cc(Cn2ccnc2C(C)C)ccc1CN.
What is the InChIKey of [2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine?
The InChIKey is GLUUGZUTRQPFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)15-17-6-7-18(15)10-12-4-5-13(9-16)14(8-12)19-3/h4-8,11H,9-10,16H2,1-3H3.
What are the key properties of [2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine?
[2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 106785903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).