N-[ethoxy(methyl)phosphoryl]-2-iodoethanamine

C5H13INO2P — CID 126542293

IUPACN-[ethoxy(methyl)phosphoryl]-2-iodoethanamine
SMILESCCOP(C)(=O)NCCI
InChIInChI=1S/C5H13INO2P/c1-3-9-10(2,8)7-5-4-6/h3-5H2,1-2H3,(H,7,8)
InChIKeyPUMMIQFHBVRNHF-UHFFFAOYSA-N
MW277.04 g/mol
LogP1.87
Rot. Bonds5

About N-[ethoxy(methyl)phosphoryl]-2-iodoethanamine

N-[ethoxy(methyl)phosphoryl]-2-iodoethanamine (PubChem CID 126542293) has the molecular formula C5H13INO2P and a molecular weight of 277.04 g/mol. Its IUPAC name is N-[ethoxy(methyl)phosphoryl]-2-iodoethanamine.

Molecular Properties

Compound NameN-[ethoxy(methyl)phosphoryl]-2-iodoethanamine
PubChem CID126542293
Molecular FormulaC5H13INO2P
Molecular Weight277.04 g/mol
Exact Mass276.97
IUPAC NameN-[ethoxy(methyl)phosphoryl]-2-iodoethanamine
SMILESCCOP(C)(=O)NCCI
InChIInChI=1S/C5H13INO2P/c1-3-9-10(2,8)7-5-4-6/h3-5H2,1-2H3,(H,7,8)
InChIKeyPUMMIQFHBVRNHF-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.04
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[ethoxy(methyl)phosphoryl]-N-methylethane-1,2-diamine
CID 87075379
2-iodo-N-[methoxy(methyl)phosphoryl]ethanamine
CID 163726957
ethyl 3-[[methyl(propoxy)phosphoryl]amino]propanoate
CID 59020287
1-[bis(iodomethyl)phosphoryloxy]ethane
CID 28223
N-[ethoxy(propylamino)phosphoryl]propan-1-amine
CID 13438201
2-chloro-N-diethoxyphosphorylethanamine
CID 11127656
3-methyl-N-[methyl(3-methylbutoxy)phosphoryl]butan-1-amine
CID 148613615
N-diethoxyphosphorylhexadecan-1-amine
CID 22003017
N-[ethoxy(methoxy)phosphoryl]-N-propylpropan-1-amine
CID 86037664
S-[2-(diethoxyphosphorylamino)ethyl] ethanethioate
CID 21305988
2-[[ethoxy(ethyl)phosphoryl]amino]ethanethiol
CID 23534642
N'-[ethoxy(ethyl)phosphoryl]-N-methylethane-1,2-diamine
CID 88863403

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy(methyl)phosphoryl]-2-iodoethanamine?
The IUPAC name of N-[ethoxy(methyl)phosphoryl]-2-iodoethanamine (CID 126542293) is N-[ethoxy(methyl)phosphoryl]-2-iodoethanamine.
What is the SMILES notation for N-[ethoxy(methyl)phosphoryl]-2-iodoethanamine?
The canonical SMILES for N-[ethoxy(methyl)phosphoryl]-2-iodoethanamine is CCOP(C)(=O)NCCI.
What is the InChIKey of N-[ethoxy(methyl)phosphoryl]-2-iodoethanamine?
The InChIKey is PUMMIQFHBVRNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13INO2P/c1-3-9-10(2,8)7-5-4-6/h3-5H2,1-2H3,(H,7,8).
What are the key properties of N-[ethoxy(methyl)phosphoryl]-2-iodoethanamine?
N-[ethoxy(methyl)phosphoryl]-2-iodoethanamine has a molecular weight of 277.04 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(methyl)phosphoryl]-2-iodoethanamine is sourced from PubChem (CID 126542293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).