ethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one

C14H24NO2P — CID 142368969

IUPACethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one
SMILESCC.CC(=O)CCc1cccc(OCCNP)c1
InChIInChI=1S/C12H18NO2P.C2H6/c1-10(14)5-6-11-3-2-4-12(9-11)15-8-7-13-16;1-2/h2-4,9,13H,5-8,16H2,1H3;1-2H3
InChIKeyCMGFVCFVLKBHSH-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.99
Rot. Bonds7

About ethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one

ethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one (PubChem CID 142368969) has the molecular formula C14H24NO2P and a molecular weight of 269.32 g/mol. Its IUPAC name is ethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one.

Molecular Properties

Compound Nameethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one
PubChem CID142368969
Molecular FormulaC14H24NO2P
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Nameethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one
SMILESCC.CC(=O)CCc1cccc(OCCNP)c1
InChIInChI=1S/C12H18NO2P.C2H6/c1-10(14)5-6-11-3-2-4-12(9-11)15-8-7-13-16;1-2/h2-4,9,13H,5-8,16H2,1H3;1-2H3
InChIKeyCMGFVCFVLKBHSH-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[2-(ethylamino)ethoxy]phenyl]butan-2-one;molecular hydrogen
CID 142365474
ethane;4-[3-(2-methylpropoxy)phenyl]butan-2-one
CID 176935151
ethane;6-(3-propoxyphenyl)hexan-2-one
CID 157048681
4-methyl-1-[3-[2-(propan-2-ylamino)ethoxy]phenyl]pentan-3-one
CID 126654778
4-methyl-1-[3-[2-(methylsulfanylamino)ethoxy]phenyl]pentan-3-one
CID 167181303
ethane;N-methyl-2-(3-propylphenoxy)ethanamine
CID 142327682
4-[3-(4-butoxyphenyl)phenyl]butan-2-one
CID 167259415
[2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate
CID 71072933
4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butan-2-one
CID 67876271
3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20987714
methyl 7-[3-(bromomethyl)phenoxy]heptanoate
CID 169093591
3-[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20993456

Frequently Asked Questions

What is the IUPAC name of ethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one?
The IUPAC name of ethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one (CID 142368969) is ethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one.
What is the SMILES notation for ethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one?
The canonical SMILES for ethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one is CC.CC(=O)CCc1cccc(OCCNP)c1.
What is the InChIKey of ethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one?
The InChIKey is CMGFVCFVLKBHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO2P.C2H6/c1-10(14)5-6-11-3-2-4-12(9-11)15-8-7-13-16;1-2/h2-4,9,13H,5-8,16H2,1H3;1-2H3.
What are the key properties of ethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one?
ethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one has a molecular weight of 269.32 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[3-[2-(phosphanylamino)ethoxy]phenyl]butan-2-one is sourced from PubChem (CID 142368969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).