3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride

C15H25ClN2O2 — CID 54607588

IUPAC3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
SMILESCOc1ccc(C(=O)C(CN(C)C)CN(C)C)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-16(2)10-13(11-17(3)4)15(18)12-6-8-14(19-5)9-7-12;/h6-9,13H,10-11H2,1-5H3;1H
InChIKeyVEZHWIXSWJIYKI-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.04
Rot. Bonds7

About 3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride

3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride (PubChem CID 54607588) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
PubChem CID54607588
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
SMILESCOc1ccc(C(=O)C(CN(C)C)CN(C)C)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-16(2)10-13(11-17(3)4)15(18)12-6-8-14(19-5)9-7-12;/h6-9,13H,10-11H2,1-5H3;1H
InChIKeyVEZHWIXSWJIYKI-UHFFFAOYSA-N
XLogP2.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5S)-2,5-bis[(dimethylamino)methyl]-1,6-bis(4-methoxyphenyl)hexane-1,6-dione
CID 40877312
2,5-bis[(dimethylamino)methyl]-1,6-bis(4-ethoxyphenyl)hexane-1,6-dione
CID 3705952
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
2-(aminomethyl)-1-(4-methoxyphenyl)butan-1-one
CID 116575155
2-ethyl-1-(4-methoxyphenyl)pentan-1-one
CID 122369816
2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one
CID 10751309
(2S,5S)-2,5-bis[bis(2-chloroethyl)aminomethyl]-1,6-bis(4-methoxyphenyl)hexane-1,6-dione
CID 98332379
(3S)-4-(4-methoxyphenyl)-N,N,3-trimethyl-4-oxobutanamide
CID 101399645
[7-[(dimethylazaniumyl)methyl]-2-(4-methoxybenzoyl)-8-(4-methoxyphenyl)-8-oxooctyl]-dimethylazanium
CID 3983400
2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one
CID 116574552
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
2,2-diethoxy-1-(4-methoxyphenyl)ethanone
CID 10130946

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride (CID 54607588) is 3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride is COc1ccc(C(=O)C(CN(C)C)CN(C)C)cc1.Cl.
What is the InChIKey of 3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride?
The InChIKey is VEZHWIXSWJIYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-16(2)10-13(11-17(3)4)15(18)12-6-8-14(19-5)9-7-12;/h6-9,13H,10-11H2,1-5H3;1H.
What are the key properties of 3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride?
3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 54607588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).