(E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine

C15H24NO3P — CID 20683659

IUPAC(E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine
SMILESCCOP(=O)(/C=C/C(N)CCc1ccccc1)OCC
InChIInChI=1S/C15H24NO3P/c1-3-18-20(17,19-4-2)13-12-15(16)11-10-14-8-6-5-7-9-14/h5-9,12-13,15H,3-4,10-11,16H2,1-2H3/b13-12+
InChIKeyRUYSMBJCTRPPCK-OUKQBFOZSA-N
MW297.34 g/mol
LogP3.73
Rot. Bonds9

About (E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine

(E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine (PubChem CID 20683659) has the molecular formula C15H24NO3P and a molecular weight of 297.34 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine
PubChem CID20683659
Molecular FormulaC15H24NO3P
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC Name(E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine
SMILESCCOP(=O)(/C=C/C(N)CCc1ccccc1)OCC
InChIInChI=1S/C15H24NO3P/c1-3-18-20(17,19-4-2)13-12-15(16)11-10-14-8-6-5-7-9-14/h5-9,12-13,15H,3-4,10-11,16H2,1-2H3/b13-12+
InChIKeyRUYSMBJCTRPPCK-OUKQBFOZSA-N
XLogP3.73
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
6-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-1-diethoxyphosphorylhex-1-en-3-amine;hydrochloride
CID 131727194
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
4,4-bis(diethoxyphosphoryl)butylbenzene
CID 10150860
(1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate
CID 10454120
(2S)-4-phenylbutan-2-amine
CID 6994564
2-diethoxyphosphorylethylbenzene
CID 3448525
N-[(E)-3-diethoxyphosphorylprop-2-enyl]-N-hydroxy-4-phenylbutanamide
CID 146000844
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
1-diethoxyphosphoryl-3-methylbut-1-ene
CID 71407469
(E)-4-diethoxyphosphoryl-1-phenylbut-3-en-1-ol
CID 11087304
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine?
The IUPAC name of (E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine (CID 20683659) is (E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine?
The canonical SMILES for (E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine is CCOP(=O)(/C=C/C(N)CCc1ccccc1)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine?
The InChIKey is RUYSMBJCTRPPCK-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H24NO3P/c1-3-18-20(17,19-4-2)13-12-15(16)11-10-14-8-6-5-7-9-14/h5-9,12-13,15H,3-4,10-11,16H2,1-2H3/b13-12+.
What are the key properties of (E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine?
(E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine has a molecular weight of 297.34 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-5-phenylpent-1-en-3-amine is sourced from PubChem (CID 20683659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).