[ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid

C23H26NO5P — CID 151300405

IUPAC[ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid
SMILESCCNC(OC(c1ccccc1)(c1ccccc1)c1ccccc1OC)P(=O)(O)O
InChIInChI=1S/C23H26NO5P/c1-3-24-22(30(25,26)27)29-23(18-12-6-4-7-13-18,19-14-8-5-9-15-19)20-16-10-11-17-21(20)28-2/h4-17,22,24H,3H2,1-2H3,(H2,25,26,27)
InChIKeyOCHMLJOCLNTJIK-UHFFFAOYSA-N
MW427.44 g/mol
LogP4.07
Rot. Bonds9

About [ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid

[ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid (PubChem CID 151300405) has the molecular formula C23H26NO5P and a molecular weight of 427.44 g/mol. Its IUPAC name is [ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid.

Molecular Properties

Compound Name[ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid
PubChem CID151300405
Molecular FormulaC23H26NO5P
Molecular Weight427.44 g/mol
Exact Mass427.15
IUPAC Name[ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid
SMILESCCNC(OC(c1ccccc1)(c1ccccc1)c1ccccc1OC)P(=O)(O)O
InChIInChI=1S/C23H26NO5P/c1-3-24-22(30(25,26)27)29-23(18-12-6-4-7-13-18,19-14-8-5-9-15-19)20-16-10-11-17-21(20)28-2/h4-17,22,24H,3H2,1-2H3,(H2,25,26,27)
InChIKeyOCHMLJOCLNTJIK-UHFFFAOYSA-N
XLogP4.07
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol
CID 67730640
3-[(2-methoxyphenyl)-diphenylmethoxy]propan-1-ol
CID 67427364
N-ethyl-4-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 64718083
1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene
CID 67065346
2-methoxy-1-(2-methoxyphenyl)-1-phenylethanol
CID 103465436
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
2-[2-[2-[bis(2-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 126752153
1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene
CID 70298562
[(2,3-dimethoxyphenyl)-diphenylmethyl]phosphonic acid
CID 67379044
2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
CID 11778513
3-(2-methoxyphenyl)-N-methylpentan-3-amine
CID 163486951
[(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate
CID 141047365

Frequently Asked Questions

What is the IUPAC name of [ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid?
The IUPAC name of [ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid (CID 151300405) is [ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid.
What is the SMILES notation for [ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid?
The canonical SMILES for [ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid is CCNC(OC(c1ccccc1)(c1ccccc1)c1ccccc1OC)P(=O)(O)O.
What is the InChIKey of [ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid?
The InChIKey is OCHMLJOCLNTJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26NO5P/c1-3-24-22(30(25,26)27)29-23(18-12-6-4-7-13-18,19-14-8-5-9-15-19)20-16-10-11-17-21(20)28-2/h4-17,22,24H,3H2,1-2H3,(H2,25,26,27).
What are the key properties of [ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid?
[ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid has a molecular weight of 427.44 g/mol, XLogP of 4.07, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethylamino-[(2-methoxyphenyl)-diphenylmethoxy]methyl]phosphonic acid is sourced from PubChem (CID 151300405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).