methanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate

C17H26ClN2O3P — CID 144766665

IUPACmethanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate
SMILESCCCOC(=O)C(C)NPCl.CN.Oc1cccc2ccccc12
InChIInChI=1S/C10H8O.C6H13ClNO2P.CH5N/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-4-10-6(9)5(2)8-11-7;1-2/h1-7,11H;5,8,11H,3-4H2,1-2H3;2H2,1H3
InChIKeyNDXVUSKSSRZZAH-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.79
Rot. Bonds5

About methanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate

methanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate (PubChem CID 144766665) has the molecular formula C17H26ClN2O3P and a molecular weight of 372.83 g/mol. Its IUPAC name is methanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate.

Molecular Properties

Compound Namemethanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate
PubChem CID144766665
Molecular FormulaC17H26ClN2O3P
Molecular Weight372.83 g/mol
Exact Mass372.14
IUPAC Namemethanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate
SMILESCCCOC(=O)C(C)NPCl.CN.Oc1cccc2ccccc12
InChIInChI=1S/C10H8O.C6H13ClNO2P.CH5N/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-4-10-6(9)5(2)8-11-7;1-2/h1-7,11H;5,8,11H,3-4H2,1-2H3;2H2,1H3
InChIKeyNDXVUSKSSRZZAH-UHFFFAOYSA-N
XLogP3.79
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-naphthalen-1-yloxyphosphoryl]amino]acetate
CID 139511547
ethyl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-naphthalen-1-yloxyphosphoryl]amino]acetate
CID 139511556
methyl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-naphthalen-1-yloxyphosphoryl]amino]acetate
CID 139528380
naphthalen-1-yloxy-N-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]phosphonamidic acid
CID 44406832
Ethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate
CID 162662771
(2,4-difluorophenyl)methyl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphanyl]amino]propanoate
CID 144027606
2-methylpropyl 2-[[[(2S,3S)-2-fluoro-3-hydroxy-2-methoxybutoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 155149345
2,2-dimethylpropyl 2-[[[(2S,3S)-2-fluoro-3-hydroxy-2-methoxybutoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 155149348
2,2-dimethylpropyl 2-[[[(3S)-2-fluoro-3-hydroxy-2-methoxybutoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 156092422
propan-2-yl 2-[[[(3S)-2-fluoro-3-hydroxy-2-methoxybutoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 156092455
propan-2-yl 2-[[[(2S,3S)-2-fluoro-3-hydroxy-2-methoxybutoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 166862651
propan-2-yl (2S)-2-[[naphthalen-1-yloxy-[(Z)-4,4,4-trifluoro-3-(hydroxymethyl)but-2-enoxy]phosphoryl]amino]propanoate
CID 171836025

Frequently Asked Questions

What is the IUPAC name of methanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate?
The IUPAC name of methanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate (CID 144766665) is methanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate.
What is the SMILES notation for methanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate?
The canonical SMILES for methanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate is CCCOC(=O)C(C)NPCl.CN.Oc1cccc2ccccc12.
What is the InChIKey of methanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate?
The InChIKey is NDXVUSKSSRZZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.C6H13ClNO2P.CH5N/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-3-4-10-6(9)5(2)8-11-7;1-2/h1-7,11H;5,8,11H,3-4H2,1-2H3;2H2,1H3.
What are the key properties of methanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate?
methanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate has a molecular weight of 372.83 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;naphthalen-1-ol;propyl 2-(chlorophosphanylamino)propanoate is sourced from PubChem (CID 144766665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).