1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one

C14H22N2O2 — CID 82064323

IUPAC1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(OCCN(C)C)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)14(17)11-5-6-13(12(15)9-11)18-8-7-16(3)4/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyUGECERIBCSJSQN-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.05
Rot. Bonds6

About 1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one

1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one (PubChem CID 82064323) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one
PubChem CID82064323
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(OCCN(C)C)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)14(17)11-5-6-13(12(15)9-11)18-8-7-16(3)4/h5-6,9-10H,7-8,15H2,1-4H3
InChIKeyUGECERIBCSJSQN-UHFFFAOYSA-N
XLogP2.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.05
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

2-methylpropyl 3-amino-4-[2-(dimethylamino)ethoxy]benzoate
CID 82057399
3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 79021333
1-[3-amino-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-methylpropan-1-one
CID 82064319
2-[2-amino-4-(2-methylpropanoyl)phenoxy]-N-methylacetamide
CID 82064320
3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
CID 82070507
2-[2-(dimethylamino)ethoxy]-5-iodoaniline
CID 66081959
3-(dimethylamino)propyl 3-amino-4-ethoxybenzoate
CID 114526416
3-amino-N,N-dimethyl-4-(2-propan-2-yloxyethoxy)benzamide
CID 82992732
3-amino-4-[2-(diethylamino)ethoxy]-N,N-dimethylbenzamide
CID 82989969
3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide
CID 82153401
3-[[1-(3-amino-4-ethoxyphenyl)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 82256769
3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide
CID 93216844

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one (CID 82064323) is 1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one is CC(C)C(=O)c1ccc(OCCN(C)C)c(N)c1.
What is the InChIKey of 1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one?
The InChIKey is UGECERIBCSJSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)14(17)11-5-6-13(12(15)9-11)18-8-7-16(3)4/h5-6,9-10H,7-8,15H2,1-4H3.
What are the key properties of 1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one?
1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one has a molecular weight of 250.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 82064323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).