1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone

C14H22N2O3 — CID 104528435

IUPAC1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone
SMILESCOCCN(CCOC)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C14H22N2O3/c1-11(17)13-5-4-12(10-14(13)15)16(6-8-18-2)7-9-19-3/h4-5,10H,6-9,15H2,1-3H3
InChIKeyLINMEINERWQWRR-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.57
Rot. Bonds8

About 1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone

1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone (PubChem CID 104528435) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone
PubChem CID104528435
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone
SMILESCOCCN(CCOC)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C14H22N2O3/c1-11(17)13-5-4-12(10-14(13)15)16(6-8-18-2)7-9-19-3/h4-5,10H,6-9,15H2,1-3H3
InChIKeyLINMEINERWQWRR-UHFFFAOYSA-N
XLogP1.57
TPSA64.79 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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-4-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanone
CID 104528635
1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone
CID 104528628
1-[2-amino-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanone
CID 104528702
2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide
CID 104528615
1-[2-amino-4-[3-(diethylamino)propyl-ethylamino]phenyl]ethanone
CID 102991273
1-[2-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 104529004
[4-[bis(2-methoxyethyl)amino]phenyl] acetate;ethane
CID 91153786
4-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]benzoic acid
CID 18371335
2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide
CID 104528602
1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone
CID 104528528
3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927
1-[4-[ethyl(2-methoxyethyl)amino]phenyl]ethanone
CID 61446564

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone (CID 104528435) is 1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone is COCCN(CCOC)c1ccc(C(C)=O)c(N)c1.
What is the InChIKey of 1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone?
The InChIKey is LINMEINERWQWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(17)13-5-4-12(10-14(13)15)16(6-8-18-2)7-9-19-3/h4-5,10H,6-9,15H2,1-3H3.
What are the key properties of 1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone?
1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[bis(2-methoxyethyl)amino]phenyl]ethanone is sourced from PubChem (CID 104528435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).