1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone

C13H20N2O2 — CID 70366320

IUPAC1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone
SMILESCCN(CC)c1cc(C(C)=O)cc(N)c1OC
InChIInChI=1S/C13H20N2O2/c1-5-15(6-2)12-8-10(9(3)16)7-11(14)13(12)17-4/h7-8H,5-6,14H2,1-4H3
InChIKeyQXPVPQPEPUBASJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.33
Rot. Bonds5

About 1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone

1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone (PubChem CID 70366320) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone
PubChem CID70366320
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone
SMILESCCN(CC)c1cc(C(C)=O)cc(N)c1OC
InChIInChI=1S/C13H20N2O2/c1-5-15(6-2)12-8-10(9(3)16)7-11(14)13(12)17-4/h7-8H,5-6,14H2,1-4H3
InChIKeyQXPVPQPEPUBASJ-UHFFFAOYSA-N
XLogP2.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.33
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

1-(3-amino-5-bromo-4-methoxyphenyl)ethanone
CID 14734843
1-(3-amino-5-iodo-4-methoxyphenyl)ethanone
CID 171027159
1-[4-(diethylamino)-3-methylphenyl]ethanone
CID 82054352
1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide
CID 82183957
methyl 3-amino-4-[(2-amino-2-oxoethyl)-ethylamino]benzoate
CID 103103939
4-amino-3-[ethyl(2-methoxyethyl)amino]benzamide
CID 55190704
1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone
CID 54517444
2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine
CID 169490482
methyl 3-amino-4-[ethyl(2-ethylbutyl)amino]benzoate
CID 61437988
1-(3-amino-5-methoxy-4-nitrophenyl)ethanone
CID 171023254
3-acetyloxy-5-amino-4-methoxybenzoic acid;hydrochloride
CID 131859893

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone (CID 70366320) is 1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone is CCN(CC)c1cc(C(C)=O)cc(N)c1OC.
What is the InChIKey of 1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone?
The InChIKey is QXPVPQPEPUBASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-15(6-2)12-8-10(9(3)16)7-11(14)13(12)17-4/h7-8H,5-6,14H2,1-4H3.
What are the key properties of 1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone?
1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone has a molecular weight of 236.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone is sourced from PubChem (CID 70366320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).