N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid

C20H25N2O5P — CID 3022732

IUPACN-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid
SMILESCOc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1.O=P(O)(O)O
InChIInChI=1S/C20H22N2O.H3O4P/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-5(2,3)4/h5-14H,1-4H3;(H3,1,2,3,4)/b19-13?,21-14+;
InChIKeyBSLGZRUHOXTFNE-YEYRTZHDSA-N
MW404.40 g/mol
LogP3.78
Rot. Bonds3

About N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid

N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid (PubChem CID 3022732) has the molecular formula C20H25N2O5P and a molecular weight of 404.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid
PubChem CID3022732
Molecular FormulaC20H25N2O5P
Molecular Weight404.40 g/mol
Exact Mass404.15
IUPAC NameN-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid
SMILESCOc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1.O=P(O)(O)O
InChIInChI=1S/C20H22N2O.H3O4P/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-5(2,3)4/h5-14H,1-4H3;(H3,1,2,3,4)/b19-13?,21-14+;
InChIKeyBSLGZRUHOXTFNE-YEYRTZHDSA-N
XLogP3.78
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 9570625
CID 9570625
CID 9589450
CID 9589450
CID 162343
CID 162343
CID 70692534
CID 70692534
CID 40979
CID 40979
CID 40980
CID 40980
CID 170839402
CID 170839402
CID 170429
CID 170429
CID 3037173
CID 3037173
CID 6453846
CID 6453846
CID 44147272
CID 44147272
CID 44147348
CID 44147348

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid?
The IUPAC name of N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid (CID 3022732) is N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid?
The canonical SMILES for N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid is COc1ccc(/N=C/C=C2N(C)c3ccccc3C2(C)C)cc1.O=P(O)(O)O.
What is the InChIKey of N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid?
The InChIKey is BSLGZRUHOXTFNE-YEYRTZHDSA-N. The full InChI is InChI=1S/C20H22N2O.H3O4P/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-5(2,3)4/h5-14H,1-4H3;(H3,1,2,3,4)/b19-13?,21-14+;.
What are the key properties of N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid?
N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid has a molecular weight of 404.40 g/mol, XLogP of 3.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;phosphoric acid is sourced from PubChem (CID 3022732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).