1-(4-chlorophenyl)-2-diethoxyphosphorylethanamine

C12H19ClNO3P — CID 11130085

IUPAC1-(4-chlorophenyl)-2-diethoxyphosphorylethanamine
SMILESCCOP(=O)(CC(N)c1ccc(Cl)cc1)OCC
InChIInChI=1S/C12H19ClNO3P/c1-3-16-18(15,17-4-2)9-12(14)10-5-7-11(13)8-6-10/h5-8,12H,3-4,9,14H2,1-2H3
InChIKeyVUISPAKPSACZCH-UHFFFAOYSA-N
MW291.72 g/mol
LogP3.61
Rot. Bonds7

About 1-(4-chlorophenyl)-2-diethoxyphosphorylethanamine

1-(4-chlorophenyl)-2-diethoxyphosphorylethanamine (PubChem CID 11130085) has the molecular formula C12H19ClNO3P and a molecular weight of 291.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-diethoxyphosphorylethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-diethoxyphosphorylethanamine
PubChem CID11130085
Molecular FormulaC12H19ClNO3P
Molecular Weight291.72 g/mol
Exact Mass291.08
IUPAC Name1-(4-chlorophenyl)-2-diethoxyphosphorylethanamine
SMILESCCOP(=O)(CC(N)c1ccc(Cl)cc1)OCC
InChIInChI=1S/C12H19ClNO3P/c1-3-16-18(15,17-4-2)9-12(14)10-5-7-11(13)8-6-10/h5-8,12H,3-4,9,14H2,1-2H3
InChIKeyVUISPAKPSACZCH-UHFFFAOYSA-N
XLogP3.61
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-diethoxyphosphorylethanamine?
The IUPAC name of 1-(4-chlorophenyl)-2-diethoxyphosphorylethanamine (CID 11130085) is 1-(4-chlorophenyl)-2-diethoxyphosphorylethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-diethoxyphosphorylethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-diethoxyphosphorylethanamine is CCOP(=O)(CC(N)c1ccc(Cl)cc1)OCC.
What is the InChIKey of 1-(4-chlorophenyl)-2-diethoxyphosphorylethanamine?
The InChIKey is VUISPAKPSACZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClNO3P/c1-3-16-18(15,17-4-2)9-12(14)10-5-7-11(13)8-6-10/h5-8,12H,3-4,9,14H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-diethoxyphosphorylethanamine?
1-(4-chlorophenyl)-2-diethoxyphosphorylethanamine has a molecular weight of 291.72 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-diethoxyphosphorylethanamine is sourced from PubChem (CID 11130085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).