1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene

C17H29NO2 — CID 143173095

IUPAC1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene
SMILESC=CCOC.CC.CCc1cc(C(C)=O)cc(N)c1C
InChIInChI=1S/C11H15NO.C4H8O.C2H6/c1-4-9-5-10(8(3)13)6-11(12)7(9)2;1-3-4-5-2;1-2/h5-6H,4,12H2,1-3H3;3H,1,4H2,2H3;1-2H3
InChIKeyJHTHTHWRTZPLGC-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.19
Rot. Bonds4

About 1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene

1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene (PubChem CID 143173095) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene.

Molecular Properties

Compound Name1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene
PubChem CID143173095
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene
SMILESC=CCOC.CC.CCc1cc(C(C)=O)cc(N)c1C
InChIInChI=1S/C11H15NO.C4H8O.C2H6/c1-4-9-5-10(8(3)13)6-11(12)7(9)2;1-3-4-5-2;1-2/h5-6H,4,12H2,1-3H3;3H,1,4H2,2H3;1-2H3
InChIKeyJHTHTHWRTZPLGC-UHFFFAOYSA-N
XLogP4.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone
CID 54517444
1-(3-amino-4,5-dimethylphenyl)ethanone
CID 86160424
3,5-diethyl-2-methylaniline
CID 105432272
3-ethyl-5-methoxy-2-methylaniline
CID 131487769
1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone
CID 171031742
methoxyethane;3-methoxyprop-1-ene;methyl acetate
CID 158707708
ethyl 3-amino-4-prop-2-enoxybenzoate
CID 82057340
5-(difluoromethyl)-3-ethyl-2-methylaniline
CID 134183684
1-(4-methyl-3-prop-2-enylphenyl)ethanone
CID 143718324
1-[3-amino-5-(diethylamino)-4-methoxyphenyl]ethanone
CID 70366320
1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone
CID 89361495
3-ethyl-N'-hydroxy-5-methyl-4-prop-2-enoxybenzenecarboximidamide
CID 72529763

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene?
The IUPAC name of 1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene (CID 143173095) is 1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene.
What is the SMILES notation for 1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene?
The canonical SMILES for 1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene is C=CCOC.CC.CCc1cc(C(C)=O)cc(N)c1C.
What is the InChIKey of 1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene?
The InChIKey is JHTHTHWRTZPLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C4H8O.C2H6/c1-4-9-5-10(8(3)13)6-11(12)7(9)2;1-3-4-5-2;1-2/h5-6H,4,12H2,1-3H3;3H,1,4H2,2H3;1-2H3.
What are the key properties of 1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene?
1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene has a molecular weight of 279.42 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene is sourced from PubChem (CID 143173095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).