ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine

C12H22NO4P — CID 69021871

IUPACethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine
SMILESCCOP(=O)(O)O.CNC(C)Cc1ccccc1
InChIInChI=1S/C10H15N.C2H7O4P/c1-9(11-2)8-10-6-4-3-5-7-10;1-2-6-7(3,4)5/h3-7,9,11H,8H2,1-2H3;2H2,1H3,(H2,3,4,5)
InChIKeyMRFZBXODUBHWCD-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.95
Rot. Bonds5

About ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine

ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine (PubChem CID 69021871) has the molecular formula C12H22NO4P and a molecular weight of 275.29 g/mol. Its IUPAC name is ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Nameethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine
PubChem CID69021871
Molecular FormulaC12H22NO4P
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Nameethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine
SMILESCCOP(=O)(O)O.CNC(C)Cc1ccccc1
InChIInChI=1S/C10H15N.C2H7O4P/c1-9(11-2)8-10-6-4-3-5-7-10;1-2-6-7(3,4)5/h3-7,9,11H,8H2,1-2H3;2H2,1H3,(H2,3,4,5)
InChIKeyMRFZBXODUBHWCD-UHFFFAOYSA-N
XLogP1.95
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-phenylpropan-2-amine
CID 118309477
potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101
(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
CID 174875624
1-fluoropropane;methanesulfinic acid;N-methyl-1-phenylpropan-2-amine
CID 143236357
1-methyl-2-(1-phenylpropan-2-yl)hydrazine
CID 26556
azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride
CID 173052639
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
ethyl 4-[2-(methylamino)propyl]benzoate
CID 70900098
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
(2R)-1-phenylpropan-2-amine;phosphoric acid
CID 76961595

Frequently Asked Questions

What is the IUPAC name of ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine?
The IUPAC name of ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine (CID 69021871) is ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine?
The canonical SMILES for ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine is CCOP(=O)(O)O.CNC(C)Cc1ccccc1.
What is the InChIKey of ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine?
The InChIKey is MRFZBXODUBHWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C2H7O4P/c1-9(11-2)8-10-6-4-3-5-7-10;1-2-6-7(3,4)5/h3-7,9,11H,8H2,1-2H3;2H2,1H3,(H2,3,4,5).
What are the key properties of ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine?
ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine has a molecular weight of 275.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl dihydrogen phosphate;N-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 69021871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).