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

C14H22N2O2 — CID 104529004

IUPAC1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
SMILESCCN(CC(C)(C)O)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-5-16(9-14(3,4)18)11-6-7-12(10(2)17)13(15)8-11/h6-8,18H,5,9,15H2,1-4H3
InChIKeyLDWZONVIRGLPAM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.07
Rot. Bonds5

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

1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone (PubChem CID 104529004) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
PubChem CID104529004
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
SMILESCCN(CC(C)(C)O)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-5-16(9-14(3,4)18)11-6-7-12(10(2)17)13(15)8-11/h6-8,18H,5,9,15H2,1-4H3
InChIKeyLDWZONVIRGLPAM-UHFFFAOYSA-N
XLogP2.07
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
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-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone
CID 102991273
1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone
CID 104528528
2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide
CID 104528602
1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone
CID 104528702
1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone
CID 104528435
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 79387122
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 79379754
4-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzoic acid
CID 79385876
2-chloro-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 79387458
1-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-2-methylpropan-2-ol
CID 113295462
2-chloro-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 79387648
1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
CID 61101851

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone (CID 104529004) is 1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone is CCN(CC(C)(C)O)c1ccc(C(C)=O)c(N)c1.
What is the InChIKey of 1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone?
The InChIKey is LDWZONVIRGLPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-16(9-14(3,4)18)11-6-7-12(10(2)17)13(15)8-11/h6-8,18H,5,9,15H2,1-4H3.
What are the key properties of 1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone?
1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone has a molecular weight of 250.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone is sourced from PubChem (CID 104529004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).