2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone

C15H24N2O2 — CID 82101787

IUPAC2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C(=O)CNCCCN(C)C)cc1C
InChIInChI=1S/C15H24N2O2/c1-12-10-13(6-7-15(12)19-4)14(18)11-16-8-5-9-17(2)3/h6-7,10,16H,5,8-9,11H2,1-4H3
InChIKeyYJFSUYTVUXUBGD-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.73
Rot. Bonds8

About 2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone

2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone (PubChem CID 82101787) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone
PubChem CID82101787
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C(=O)CNCCCN(C)C)cc1C
InChIInChI=1S/C15H24N2O2/c1-12-10-13(6-7-15(12)19-4)14(18)11-16-8-5-9-17(2)3/h6-7,10,16H,5,8-9,11H2,1-4H3
InChIKeyYJFSUYTVUXUBGD-UHFFFAOYSA-N
XLogP1.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82102048
1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
CID 82101767
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 82102055
N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide
CID 82101774
2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone
CID 82077457
1-(4-chlorophenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82101452
1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone
CID 94279481
2-[3-(dimethylamino)propylamino]-1-(4-propan-2-ylphenyl)ethanone
CID 82101362
N-[3-(dimethylamino)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 95970771
2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone
CID 82101862
1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone
CID 82258331
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone (CID 82101787) is 2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone is COc1ccc(C(=O)CNCCCN(C)C)cc1C.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone?
The InChIKey is YJFSUYTVUXUBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-10-13(6-7-15(12)19-4)14(18)11-16-8-5-9-17(2)3/h6-7,10,16H,5,8-9,11H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone?
2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone has a molecular weight of 264.37 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone is sourced from PubChem (CID 82101787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).