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

C12H17NO2 — CID 142294720

IUPAC1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC(O)C(C)C)cc1
InChIInChI=1S/C12H17NO2/c1-8(2)12(15)13-11-6-4-10(5-7-11)9(3)14/h4-8,12-13,15H,1-3H3
InChIKeyDLLDOQPVRDPAKN-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.28
Rot. Bonds4

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

1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone (PubChem CID 142294720) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone
PubChem CID142294720
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(NC(O)C(C)C)cc1
InChIInChI=1S/C12H17NO2/c1-8(2)12(15)13-11-6-4-10(5-7-11)9(3)14/h4-8,12-13,15H,1-3H3
InChIKeyDLLDOQPVRDPAKN-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetylanilino)-N-methylpropanamide
CID 115573414
1-[4-(but-3-en-2-ylamino)phenyl]ethanone
CID 114468469
1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone
CID 114468361
1-[4-(sulfanylamino)phenyl]ethanone
CID 143142211
1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone
CID 115576830
1-[4-(hexan-2-ylamino)phenyl]ethanone
CID 114468208
ethyl 2-(4-acetylanilino)propanoate
CID 62004850
1-[4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]phenyl]ethanone
CID 106350728
1-[4-(chloroamino)phenyl]ethanone
CID 140987111
(2S)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019529
(2R)-N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
CID 8019533
1-(4-acetylphenyl)ethanone;methane
CID 159515104

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone (CID 142294720) is 1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone is CC(=O)c1ccc(NC(O)C(C)C)cc1.
What is the InChIKey of 1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone?
The InChIKey is DLLDOQPVRDPAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)12(15)13-11-6-4-10(5-7-11)9(3)14/h4-8,12-13,15H,1-3H3.
What are the key properties of 1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone?
1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone has a molecular weight of 207.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone is sourced from PubChem (CID 142294720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).