(S)-diethoxyphosphoryl-(4-iodophenyl)methanamine

C11H17INO3P — CID 171191723

IUPAC(S)-diethoxyphosphoryl-(4-iodophenyl)methanamine
SMILESCCOP(=O)(OCC)[C@H](N)c1ccc(I)cc1
InChIInChI=1S/C11H17INO3P/c1-3-15-17(14,16-4-2)11(13)9-5-7-10(12)8-6-9/h5-8,11H,3-4,13H2,1-2H3/t11-/m0/s1
InChIKeyAERZDYDDBUTODP-NSHDSACASA-N
MW369.14 g/mol
LogP3.51
Rot. Bonds6

About (S)-diethoxyphosphoryl-(4-iodophenyl)methanamine

(S)-diethoxyphosphoryl-(4-iodophenyl)methanamine (PubChem CID 171191723) has the molecular formula C11H17INO3P and a molecular weight of 369.14 g/mol. Its IUPAC name is (S)-diethoxyphosphoryl-(4-iodophenyl)methanamine.

Molecular Properties

Compound Name(S)-diethoxyphosphoryl-(4-iodophenyl)methanamine
PubChem CID171191723
Molecular FormulaC11H17INO3P
Molecular Weight369.14 g/mol
Exact Mass369.00
IUPAC Name(S)-diethoxyphosphoryl-(4-iodophenyl)methanamine
SMILESCCOP(=O)(OCC)[C@H](N)c1ccc(I)cc1
InChIInChI=1S/C11H17INO3P/c1-3-15-17(14,16-4-2)11(13)9-5-7-10(12)8-6-9/h5-8,11H,3-4,13H2,1-2H3/t11-/m0/s1
InChIKeyAERZDYDDBUTODP-NSHDSACASA-N
XLogP3.51
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.14
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine
CID 2313111
(R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine
CID 171192056
(S)-diethoxyphosphoryl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171191830
[4-[(R)-amino(diethoxyphosphoryl)methyl]phenyl] acetate
CID 171192289
(R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine
CID 171192335
(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine
CID 171192177
4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol
CID 171192048
(R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine
CID 171192311
4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol
CID 102231282
(R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine
CID 171192082
(R)-diethoxyphosphoryl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
CID 171192259
4-[(R)-amino(diethoxyphosphoryl)methyl]-2-nitrophenol
CID 171192076

Frequently Asked Questions

What is the IUPAC name of (S)-diethoxyphosphoryl-(4-iodophenyl)methanamine?
The IUPAC name of (S)-diethoxyphosphoryl-(4-iodophenyl)methanamine (CID 171191723) is (S)-diethoxyphosphoryl-(4-iodophenyl)methanamine.
What is the SMILES notation for (S)-diethoxyphosphoryl-(4-iodophenyl)methanamine?
The canonical SMILES for (S)-diethoxyphosphoryl-(4-iodophenyl)methanamine is CCOP(=O)(OCC)[C@H](N)c1ccc(I)cc1.
What is the InChIKey of (S)-diethoxyphosphoryl-(4-iodophenyl)methanamine?
The InChIKey is AERZDYDDBUTODP-NSHDSACASA-N. The full InChI is InChI=1S/C11H17INO3P/c1-3-15-17(14,16-4-2)11(13)9-5-7-10(12)8-6-9/h5-8,11H,3-4,13H2,1-2H3/t11-/m0/s1.
What are the key properties of (S)-diethoxyphosphoryl-(4-iodophenyl)methanamine?
(S)-diethoxyphosphoryl-(4-iodophenyl)methanamine has a molecular weight of 369.14 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-diethoxyphosphoryl-(4-iodophenyl)methanamine is sourced from PubChem (CID 171191723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).