1-(2-ethoxyphenyl)-2-(hexylamino)ethanone

C16H25NO2 — CID 82102192

IUPAC1-(2-ethoxyphenyl)-2-(hexylamino)ethanone
SMILESCCCCCCNCC(=O)c1ccccc1OCC
InChIInChI=1S/C16H25NO2/c1-3-5-6-9-12-17-13-15(18)14-10-7-8-11-16(14)19-4-2/h7-8,10-11,17H,3-6,9,12-13H2,1-2H3
InChIKeyBCORFSWSKLQTPV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.44
Rot. Bonds10

About 1-(2-ethoxyphenyl)-2-(hexylamino)ethanone

1-(2-ethoxyphenyl)-2-(hexylamino)ethanone (PubChem CID 82102192) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(hexylamino)ethanone.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(hexylamino)ethanone
PubChem CID82102192
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-ethoxyphenyl)-2-(hexylamino)ethanone
SMILESCCCCCCNCC(=O)c1ccccc1OCC
InChIInChI=1S/C16H25NO2/c1-3-5-6-9-12-17-13-15(18)14-10-7-8-11-16(14)19-4-2/h7-8,10-11,17H,3-6,9,12-13H2,1-2H3
InChIKeyBCORFSWSKLQTPV-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyphenyl)-2-(hexylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
2-(hexylamino)-1-phenylethanone
CID 82101185
N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807395
1-(2-ethoxyphenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796047
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
2-(cyclopropylamino)-1-(2-ethoxyphenyl)ethanone
CID 82102218
2-(dibutylamino)-1-(2-ethoxyphenyl)ethanone
CID 43794795
1-(2-ethoxyphenyl)pentane-1,3-dione
CID 28896176
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
2-ethoxy-N-nonylaniline
CID 43129179
3-(2-ethoxyphenyl)-3-oxopropanamide
CID 76851157

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(hexylamino)ethanone?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(hexylamino)ethanone (CID 82102192) is 1-(2-ethoxyphenyl)-2-(hexylamino)ethanone.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(hexylamino)ethanone?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(hexylamino)ethanone is CCCCCCNCC(=O)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(hexylamino)ethanone?
The InChIKey is BCORFSWSKLQTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-5-6-9-12-17-13-15(18)14-10-7-8-11-16(14)19-4-2/h7-8,10-11,17H,3-6,9,12-13H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(hexylamino)ethanone?
1-(2-ethoxyphenyl)-2-(hexylamino)ethanone has a molecular weight of 263.38 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(hexylamino)ethanone is sourced from PubChem (CID 82102192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).