1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone

C14H22N2O3 — CID 82102055

IUPAC1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone
SMILESCOc1ccc(C(=O)CNCCN(C)C)cc1OC
InChIInChI=1S/C14H22N2O3/c1-16(2)8-7-15-10-12(17)11-5-6-13(18-3)14(9-11)19-4/h5-6,9,15H,7-8,10H2,1-4H3
InChIKeyKCQVNDVPXKQBRG-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.04
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone

1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone (PubChem CID 82102055) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone
PubChem CID82102055
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone
SMILESCOc1ccc(C(=O)CNCCN(C)C)cc1OC
InChIInChI=1S/C14H22N2O3/c1-16(2)8-7-15-10-12(17)11-5-6-13(18-3)14(9-11)19-4/h5-6,9,15H,7-8,10H2,1-4H3
InChIKeyKCQVNDVPXKQBRG-UHFFFAOYSA-N
XLogP1.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone
CID 82101787
2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone
CID 82101862
1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
CID 82102049
N-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994520
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112991429
2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone
CID 82101643
1-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]ethanone
CID 94268915
1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
CID 110830006
1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
CID 82101767
2-(dimethylamino)ethyl 3,4-dimethoxybenzoate
CID 936334
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
CID 16740549

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone (CID 82102055) is 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone is COc1ccc(C(=O)CNCCN(C)C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone?
The InChIKey is KCQVNDVPXKQBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16(2)8-7-15-10-12(17)11-5-6-13(18-3)14(9-11)19-4/h5-6,9,15H,7-8,10H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone?
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone has a molecular weight of 266.34 g/mol, XLogP of 1.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanone is sourced from PubChem (CID 82102055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).