(4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

C15H19N3O — CID 104946263

IUPAC(4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)n1cncc1C1C[C@@H](N)c2ccccc2O1
InChIInChI=1S/C15H19N3O/c1-10(2)18-9-17-8-13(18)15-7-12(16)11-5-3-4-6-14(11)19-15/h3-6,8-10,12,15H,7,16H2,1-2H3/t12-,15?/m1/s1
InChIKeyZJPITHSMYSXZDJ-KEKZHRQWSA-N
MW257.34 g/mol
LogP2.99
Rot. Bonds2

About (4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

(4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946263) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946263
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)n1cncc1C1C[C@@H](N)c2ccccc2O1
InChIInChI=1S/C15H19N3O/c1-10(2)18-9-17-8-13(18)15-7-12(16)11-5-3-4-6-14(11)19-15/h3-6,8-10,12,15H,7,16H2,1-2H3/t12-,15?/m1/s1
InChIKeyZJPITHSMYSXZDJ-KEKZHRQWSA-N
XLogP2.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 104946263) is (4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is CC(C)n1cncc1C1C[C@@H](N)c2ccccc2O1.
What is the InChIKey of (4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZJPITHSMYSXZDJ-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)18-9-17-8-13(18)15-7-12(16)11-5-3-4-6-14(11)19-15/h3-6,8-10,12,15H,7,16H2,1-2H3/t12-,15?/m1/s1.
What are the key properties of (4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3-propan-2-ylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).