1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone

C19H25N3O2 — CID 82258238

IUPAC1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
SMILESCOc1ccc(C(CNCC(=O)c2ccc(N)cc2)N(C)C)cc1
InChIInChI=1S/C19H25N3O2/c1-22(2)18(14-6-10-17(24-3)11-7-14)12-21-13-19(23)15-4-8-16(20)9-5-15/h4-11,18,21H,12-13,20H2,1-3H3
InChIKeyXVNRDXYAUULFLK-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.35
Rot. Bonds8

About 1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone

1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone (PubChem CID 82258238) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
PubChem CID82258238
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
SMILESCOc1ccc(C(CNCC(=O)c2ccc(N)cc2)N(C)C)cc1
InChIInChI=1S/C19H25N3O2/c1-22(2)18(14-6-10-17(24-3)11-7-14)12-21-13-19(23)15-4-8-16(20)9-5-15/h4-11,18,21H,12-13,20H2,1-3H3
InChIKeyXVNRDXYAUULFLK-UHFFFAOYSA-N
XLogP2.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone
CID 110830006
1-(4-methoxyphenyl)-2-(2-methylpropylamino)ethanone
CID 94258475
1-(3-chloro-4-methoxyphenyl)-2-[[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]amino]ethanone
CID 110827671
2-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-1-phenylethanone
CID 110825230
2-[2-(dimethylamino)ethylamino]-1-(4-methoxyphenyl)ethanone
CID 82101862
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
(E)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-methoxyphenyl)but-2-enamide
CID 110302061
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 7987402
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
1-(4-methoxyphenyl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
CID 110825707

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone?
The IUPAC name of 1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone (CID 82258238) is 1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone.
What is the SMILES notation for 1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone?
The canonical SMILES for 1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone is COc1ccc(C(CNCC(=O)c2ccc(N)cc2)N(C)C)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone?
The InChIKey is XVNRDXYAUULFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-22(2)18(14-6-10-17(24-3)11-7-14)12-21-13-19(23)15-4-8-16(20)9-5-15/h4-11,18,21H,12-13,20H2,1-3H3.
What are the key properties of 1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone?
1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone has a molecular weight of 327.43 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]ethanone is sourced from PubChem (CID 82258238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).