1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone

C14H22N2O2 — CID 82258331

IUPAC1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone
SMILESCCCCCNCC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-3-4-5-8-16-10-13(17)11-6-7-14(18-2)12(15)9-11/h6-7,9,16H,3-5,8,10,15H2,1-2H3
InChIKeyAYRVGKOBFHMZKD-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.24
Rot. Bonds8

About 1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone

1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone (PubChem CID 82258331) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone
PubChem CID82258331
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone
SMILESCCCCCNCC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-3-4-5-8-16-10-13(17)11-6-7-14(18-2)12(15)9-11/h6-7,9,16H,3-5,8,10,15H2,1-2H3
InChIKeyAYRVGKOBFHMZKD-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-methylphenyl)-2-(butylamino)ethanone
CID 98014245
1-(3-amino-4-ethoxyphenyl)-2-(3-ethoxypropylamino)ethanone
CID 82258588
1-(3-amino-4-methoxyphenyl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 82258345
1-(3-amino-4-ethoxyphenyl)-2-(2-methoxyethylamino)ethanone
CID 82258583
1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
CID 82101767
1-(3-amino-4-ethoxyphenyl)-2-[3-(diethylamino)propylamino]ethanone
CID 95410820
hexyl 3-amino-4-methoxybenzoate
CID 61310261
1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]ethanone
CID 82102048
2-(hexylamino)-1-(4-methylphenyl)ethanone
CID 82101213
2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone
CID 82101787
1-(4-chlorophenyl)-2-(hexylamino)ethanone
CID 82101441
2-(hexylamino)-1-phenylethanone
CID 82101185

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone?
The IUPAC name of 1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone (CID 82258331) is 1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone.
What is the SMILES notation for 1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone?
The canonical SMILES for 1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone is CCCCCNCC(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone?
The InChIKey is AYRVGKOBFHMZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-5-8-16-10-13(17)11-6-7-14(18-2)12(15)9-11/h6-7,9,16H,3-5,8,10,15H2,1-2H3.
What are the key properties of 1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone?
1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone has a molecular weight of 250.34 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methoxyphenyl)-2-(pentylamino)ethanone is sourced from PubChem (CID 82258331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).