1-[4-(2-ethoxypropylamino)phenyl]ethanone

C13H19NO2 — CID 114468455

IUPAC1-[4-(2-ethoxypropylamino)phenyl]ethanone
SMILESCCOC(C)CNc1ccc(C(C)=O)cc1
InChIInChI=1S/C13H19NO2/c1-4-16-10(2)9-14-13-7-5-12(6-8-13)11(3)15/h5-8,10,14H,4,9H2,1-3H3
InChIKeyIALLVWRRCLZHBJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.73
Rot. Bonds6

About 1-[4-(2-ethoxypropylamino)phenyl]ethanone

1-[4-(2-ethoxypropylamino)phenyl]ethanone (PubChem CID 114468455) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[4-(2-ethoxypropylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-ethoxypropylamino)phenyl]ethanone
PubChem CID114468455
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[4-(2-ethoxypropylamino)phenyl]ethanone
SMILESCCOC(C)CNc1ccc(C(C)=O)cc1
InChIInChI=1S/C13H19NO2/c1-4-16-10(2)9-14-13-7-5-12(6-8-13)11(3)15/h5-8,10,14H,4,9H2,1-3H3
InChIKeyIALLVWRRCLZHBJ-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-cyclopropylpropylamino)phenyl]ethanone
CID 114468453
1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone
CID 124500301
1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea
CID 115662968
1-[4-(propylamino)phenyl]ethanone
CID 7304598
1-[4-(3,3-difluoropropylamino)phenyl]ethanone
CID 84679618
ethyl 2-(4-acetylanilino)propanoate
CID 62004850
2-anilino-N-(2-ethoxypropyl)acetamide
CID 115739451
(4-acetylanilino)methanesulfinic acid
CID 175150534
1-[4-(prop-2-enylamino)phenyl]ethanone
CID 21163521
methyl 4-(2-methylpropylamino)benzoate
CID 12045610
ethyl 4-[(3-chloro-2-hydroxypropyl)amino]benzoate
CID 168600820
1-(2-ethoxypropyl)-3-(4-methylphenyl)urea
CID 121261528

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxypropylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(2-ethoxypropylamino)phenyl]ethanone (CID 114468455) is 1-[4-(2-ethoxypropylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-ethoxypropylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-ethoxypropylamino)phenyl]ethanone is CCOC(C)CNc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-(2-ethoxypropylamino)phenyl]ethanone?
The InChIKey is IALLVWRRCLZHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-16-10(2)9-14-13-7-5-12(6-8-13)11(3)15/h5-8,10,14H,4,9H2,1-3H3.
What are the key properties of 1-[4-(2-ethoxypropylamino)phenyl]ethanone?
1-[4-(2-ethoxypropylamino)phenyl]ethanone has a molecular weight of 221.30 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxypropylamino)phenyl]ethanone is sourced from PubChem (CID 114468455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).