1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one

C14H21NO2 — CID 82052966

IUPAC1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one
SMILESCCC(=O)c1ccc(N(CC)CC)cc1OC
InChIInChI=1S/C14H21NO2/c1-5-13(16)12-9-8-11(10-14(12)17-4)15(6-2)7-3/h8-10H,5-7H2,1-4H3
InChIKeyDTAQWWIBNPGGFK-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.13
Rot. Bonds6

About 1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one

1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one (PubChem CID 82052966) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one
PubChem CID82052966
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one
SMILESCCC(=O)c1ccc(N(CC)CC)cc1OC
InChIInChI=1S/C14H21NO2/c1-5-13(16)12-9-8-11(10-14(12)17-4)15(6-2)7-3/h8-10H,5-7H2,1-4H3
InChIKeyDTAQWWIBNPGGFK-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[4-(diethylamino)-2-methoxyphenyl]ethanone
CID 82052970
1-(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 68757137
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
3-[4-(diethylamino)-2-methoxyphenyl]propanoic acid
CID 82052960
(E)-3-[4-(diethylamino)phenyl]-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 7594013
N,N-diethyl-3-methoxy-4-(1-phenylbuta-1,3-dienyl)aniline
CID 139761075
methyl 4-(diethylamino)-2-hydroxybenzoate
CID 18402115
[4-(diethylamino)-2-methoxyanilino]methanesulfonic acid
CID 23471226
[7-(diethylamino)-3-methoxy-4-propanoyloxynaphthalen-1-yl] propanoate
CID 19909126
[2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone
CID 23343332
1-[4-methoxy-2-(2-methoxyethoxy)phenyl]propan-1-one
CID 67337211

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one?
The IUPAC name of 1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one (CID 82052966) is 1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one.
What is the SMILES notation for 1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one?
The canonical SMILES for 1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one is CCC(=O)c1ccc(N(CC)CC)cc1OC.
What is the InChIKey of 1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one?
The InChIKey is DTAQWWIBNPGGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-13(16)12-9-8-11(10-14(12)17-4)15(6-2)7-3/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one?
1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one has a molecular weight of 235.33 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-2-methoxyphenyl]propan-1-one is sourced from PubChem (CID 82052966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).