1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone

C17H20N2O2 — CID 105057753

IUPAC1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC(C)(CO)c2ccccc2)cc1N
InChIInChI=1S/C17H20N2O2/c1-12(21)15-9-8-14(10-16(15)18)19-17(2,11-20)13-6-4-3-5-7-13/h3-10,19-20H,11,18H2,1-2H3
InChIKeyXUOFEGMRTPOICR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.79
Rot. Bonds5

About 1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone

1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone (PubChem CID 105057753) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone
PubChem CID105057753
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC(C)(CO)c2ccccc2)cc1N
InChIInChI=1S/C17H20N2O2/c1-12(21)15-9-8-14(10-16(15)18)19-17(2,11-20)13-6-4-3-5-7-13/h3-10,19-20H,11,18H2,1-2H3
InChIKeyXUOFEGMRTPOICR-UHFFFAOYSA-N
XLogP2.79
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-4-(2-hydroxyethylamino)phenyl]ethanone
CID 104528257
1-[2-amino-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenyl]ethanone
CID 114092979
2-(3-amino-5-methoxyanilino)-2-phenylpropan-1-ol
CID 105057714
4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 105058494
1-[2-amino-4-(3-methylbut-2-enylamino)phenyl]ethanone
CID 106182629
2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol
CID 105057762
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
2-[(6-amino-2-methylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105060904
1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone
CID 104528374
1-[2-amino-4-[(4-hydroxy-2-methylbutyl)amino]phenyl]ethanone
CID 104528980
2-amino-4-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]benzoic acid
CID 104500511
1-[2-amino-4-[(4-ethylphenyl)methylamino]phenyl]ethanone
CID 106899320

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone (CID 105057753) is 1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone is CC(=O)c1ccc(NC(C)(CO)c2ccccc2)cc1N.
What is the InChIKey of 1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone?
The InChIKey is XUOFEGMRTPOICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(21)15-9-8-14(10-16(15)18)19-17(2,11-20)13-6-4-3-5-7-13/h3-10,19-20H,11,18H2,1-2H3.
What are the key properties of 1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone?
1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 105057753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).