1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone

C15H23NO2 — CID 106350728

IUPAC1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC(CCO)C(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11(18)12-5-7-13(8-6-12)16-14(9-10-17)15(2,3)4/h5-8,14,16-17H,9-10H2,1-4H3
InChIKeyKZPUBORPZIKQKL-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.10
Rot. Bonds5

About 1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone

1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone (PubChem CID 106350728) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone
PubChem CID106350728
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC(CCO)C(C)(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11(18)12-5-7-13(8-6-12)16-14(9-10-17)15(2,3)4/h5-8,14,16-17H,9-10H2,1-4H3
InChIKeyKZPUBORPZIKQKL-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 142294720
1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 103709885
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
3-(3-iodo-4-nitroanilino)-4,4-dimethylpentan-1-ol
CID 106350723
1-[4-(3,3-difluoropropylamino)phenyl]ethanone
CID 84679618
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-propan-2-ylbenzamide
CID 106353051
1-[4-(hexan-2-ylamino)phenyl]ethanone
CID 114468208
1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone
CID 114468361
3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol
CID 106348438
3-(4-acetylphenyl)-1-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1-methylurea
CID 99697534
1-[4-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 24826943
1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone
CID 170874851

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone (CID 106350728) is 1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone is CC(=O)c1ccc(NC(CCO)C(C)(C)C)cc1.
What is the InChIKey of 1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone?
The InChIKey is KZPUBORPZIKQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(18)12-5-7-13(8-6-12)16-14(9-10-17)15(2,3)4/h5-8,14,16-17H,9-10H2,1-4H3.
What are the key properties of 1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone?
1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone has a molecular weight of 249.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone is sourced from PubChem (CID 106350728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).