1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone

C14H22N2O2 — CID 104529371

IUPAC1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(C)(C)N(C)C)cc1N
InChIInChI=1S/C14H22N2O2/c1-10(17)12-7-6-11(8-13(12)15)18-9-14(2,3)16(4)5/h6-8H,9,15H2,1-5H3
InChIKeyXMAYOMDJDHHNQI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.19
Rot. Bonds5

About 1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone

1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone (PubChem CID 104529371) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone
PubChem CID104529371
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(C)(C)N(C)C)cc1N
InChIInChI=1S/C14H22N2O2/c1-10(17)12-7-6-11(8-13(12)15)18-9-14(2,3)16(4)5/h6-8H,9,15H2,1-5H3
InChIKeyXMAYOMDJDHHNQI-UHFFFAOYSA-N
XLogP2.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium;2-(4-acetyl-3-aminophenoxy)acetic acid;hydride
CID 173066135
4-amino-2-[2-(dimethylamino)-2-methylpropoxy]benzamide
CID 79679565
1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863870
4-[2-(dimethylamino)-2-methylpropoxy]-2-(trifluoromethyl)aniline
CID 79679748
2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]acetamide
CID 89083044
1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 104529311
1-[2-amino-4-(4-iodophenoxy)phenyl]ethanone
CID 113423320
4-amino-3-[2-(dimethylamino)-2-methylpropoxy]benzamide
CID 79680114
1-[2-amino-5-(3,3,3-trifluoropropoxy)phenyl]ethanone
CID 104613361
1-[2-amino-4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanone
CID 104529359
4-chloro-2-[2-(dimethylamino)-2-methylpropoxy]benzoic acid
CID 79679785
2-(4-acetyl-3-aminophenoxy)-N-[2-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butyl]acetamide
CID 91128464

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone (CID 104529371) is 1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone is CC(=O)c1ccc(OCC(C)(C)N(C)C)cc1N.
What is the InChIKey of 1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone?
The InChIKey is XMAYOMDJDHHNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(17)12-7-6-11(8-13(12)15)18-9-14(2,3)16(4)5/h6-8H,9,15H2,1-5H3.
What are the key properties of 1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone?
1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone has a molecular weight of 250.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[2-(dimethylamino)-2-methylpropoxy]phenyl]ethanone is sourced from PubChem (CID 104529371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).