2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one

C15H23NO3 — CID 82100699

IUPAC2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)NC(C)(C)CO)cc1C
InChIInChI=1S/C15H23NO3/c1-10-8-12(6-7-13(10)19-5)14(18)11(2)16-15(3,4)9-17/h6-8,11,16-17H,9H2,1-5H3
InChIKeyFDCCFJODHKQZNK-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.94
Rot. Bonds6

About 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one

2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one (PubChem CID 82100699) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one
PubChem CID82100699
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)NC(C)(C)CO)cc1C
InChIInChI=1S/C15H23NO3/c1-10-8-12(6-7-13(10)19-5)14(18)11(2)16-15(3,4)9-17/h6-8,11,16-17H,9H2,1-5H3
InChIKeyFDCCFJODHKQZNK-UHFFFAOYSA-N
XLogP1.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one?
The IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one (CID 82100699) is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one.
What is the SMILES notation for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one?
The canonical SMILES for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one is COc1ccc(C(=O)C(C)NC(C)(C)CO)cc1C.
What is the InChIKey of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one?
The InChIKey is FDCCFJODHKQZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-8-12(6-7-13(10)19-5)14(18)11(2)16-15(3,4)9-17/h6-8,11,16-17H,9H2,1-5H3.
What are the key properties of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one?
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one has a molecular weight of 265.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-(4-methoxy-3-methylphenyl)propan-1-one is sourced from PubChem (CID 82100699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).