3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride

C15H24ClNO3 — CID 2925638

IUPAC3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride
SMILESCCN(CC)CCC(=O)c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-5-16(6-2)10-9-13(17)12-7-8-14(18-3)15(11-12)19-4;/h7-8,11H,5-6,9-10H2,1-4H3;1H
InChIKeyHDMKZZGVSXXPBY-UHFFFAOYSA-N
MW301.81 g/mol
LogP3.04
Rot. Bonds8

About 3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride

3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride (PubChem CID 2925638) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride
PubChem CID2925638
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride
SMILESCCN(CC)CCC(=O)c1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-5-16(6-2)10-9-13(17)12-7-8-14(18-3)15(11-12)19-4;/h7-8,11H,5-6,9-10H2,1-4H3;1H
InChIKeyHDMKZZGVSXXPBY-UHFFFAOYSA-N
XLogP3.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylamino)-1-(3,4-dipropoxyphenyl)propan-1-one
CID 82050339
3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one
CID 82050380
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
1-(3,4-dimethoxyphenyl)-7-[ethyl-[(2-methoxyphenyl)methyl]amino]heptan-1-one;hydrochloride
CID 19921887
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
1-(3,4-dimethoxyphenyl)-3-ethylsulfanylpropan-1-one
CID 15365888
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
3-(diethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 3056738
[2-(3,4-dimethoxyphenyl)-2-oxoethyl]azanium chloride
CID 16740542
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
1-(3,4-dimethoxyphenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride
CID 44663108

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride (CID 2925638) is 3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride is CCN(CC)CCC(=O)c1ccc(OC)c(OC)c1.Cl.
What is the InChIKey of 3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride?
The InChIKey is HDMKZZGVSXXPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3.ClH/c1-5-16(6-2)10-9-13(17)12-7-8-14(18-3)15(11-12)19-4;/h7-8,11H,5-6,9-10H2,1-4H3;1H.
What are the key properties of 3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride?
3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride has a molecular weight of 301.81 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 2925638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).