1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone

C14H22N2O — CID 113433012

IUPAC1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone
SMILESCC(=O)c1cc(N(C)CC(C)(C)C)ccc1N
InChIInChI=1S/C14H22N2O/c1-10(17)12-8-11(6-7-13(12)15)16(5)9-14(2,3)4/h6-8H,9,15H2,1-5H3
InChIKeyXLWLUSUBYYELGG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.95
Rot. Bonds3

About 1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone

1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone (PubChem CID 113433012) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone
PubChem CID113433012
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone
SMILESCC(=O)c1cc(N(C)CC(C)(C)C)ccc1N
InChIInChI=1S/C14H22N2O/c1-10(17)12-8-11(6-7-13(12)15)16(5)9-14(2,3)4/h6-8H,9,15H2,1-5H3
InChIKeyXLWLUSUBYYELGG-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine
CID 106750670
1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone
CID 104612404
1-[2-amino-5-[methyl-[3-(methylamino)propyl]amino]phenyl]ethanone
CID 104613009
4-[2,2-dimethylpropyl(methyl)amino]-2-methylbenzoic acid
CID 55038670
2-amino-5-[2,2-dimethylpropyl(methyl)amino]benzonitrile
CID 115499344
1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 104612473
1-[2-amino-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]phenyl]ethanone
CID 104612411
1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone
CID 104612387
1-[2-amino-5-[4-(dimethylamino)anilino]phenyl]ethanone
CID 104612418
1-(2-amino-5-tert-butylphenyl)ethanone
CID 83988010
1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone
CID 103187601
1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone
CID 104612683

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone (CID 113433012) is 1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone is CC(=O)c1cc(N(C)CC(C)(C)C)ccc1N.
What is the InChIKey of 1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone?
The InChIKey is XLWLUSUBYYELGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(17)12-8-11(6-7-13(12)15)16(5)9-14(2,3)4/h6-8H,9,15H2,1-5H3.
What are the key properties of 1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone?
1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone has a molecular weight of 234.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone is sourced from PubChem (CID 113433012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).