3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine

C20H29N3O2 — CID 142525112

IUPAC3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine
SMILESCC.CC1CCNC1.[H]/N=C/c1c(N)cc(-c2ccc(O)cc2)cc1O
InChIInChI=1S/C13H12N2O2.C5H11N.C2H6/c14-7-11-12(15)5-9(6-13(11)17)8-1-3-10(16)4-2-8;1-5-2-3-6-4-5;1-2/h1-7,14,16-17H,15H2;5-6H,2-4H2,1H3;1-2H3/b14-7+;;
InChIKeyWFPHDQYFAAKUOW-MOEKMLTRSA-N
MW343.47 g/mol
LogP3.99
Rot. Bonds2

About 3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine

3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine (PubChem CID 142525112) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine.

Molecular Properties

Compound Name3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine
PubChem CID142525112
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine
SMILESCC.CC1CCNC1.[H]/N=C/c1c(N)cc(-c2ccc(O)cc2)cc1O
InChIInChI=1S/C13H12N2O2.C5H11N.C2H6/c14-7-11-12(15)5-9(6-13(11)17)8-1-3-10(16)4-2-8;1-5-2-3-6-4-5;1-2/h1-7,14,16-17H,15H2;5-6H,2-4H2,1H3;1-2H3/b14-7+;;
InChIKeyWFPHDQYFAAKUOW-MOEKMLTRSA-N
XLogP3.99
TPSA102.36 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine?
The IUPAC name of 3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine (CID 142525112) is 3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine.
What is the SMILES notation for 3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine?
The canonical SMILES for 3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine is CC.CC1CCNC1.[H]/N=C/c1c(N)cc(-c2ccc(O)cc2)cc1O.
What is the InChIKey of 3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine?
The InChIKey is WFPHDQYFAAKUOW-MOEKMLTRSA-N. The full InChI is InChI=1S/C13H12N2O2.C5H11N.C2H6/c14-7-11-12(15)5-9(6-13(11)17)8-1-3-10(16)4-2-8;1-5-2-3-6-4-5;1-2/h1-7,14,16-17H,15H2;5-6H,2-4H2,1H3;1-2H3/b14-7+;;.
What are the key properties of 3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine?
3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine has a molecular weight of 343.47 g/mol, XLogP of 3.99, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenol;ethane;3-methylpyrrolidine is sourced from PubChem (CID 142525112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).