2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide

C10H14N2O2 — CID 130033757

IUPAC2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide
SMILES[H]/N=C(/C(O)c1cccc(O)c1)N(C)C
InChIInChI=1S/C10H14N2O2/c1-12(2)10(11)9(14)7-4-3-5-8(13)6-7/h3-6,9,11,13-14H,1-2H3/b11-10-
InChIKeyNOTYLIOFWMOMFP-KHPPLWFESA-N
MW194.23 g/mol
LogP0.96
Rot. Bonds2

About 2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide

2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide (PubChem CID 130033757) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide.

Molecular Properties

Compound Name2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide
PubChem CID130033757
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide
SMILES[H]/N=C(/C(O)c1cccc(O)c1)N(C)C
InChIInChI=1S/C10H14N2O2/c1-12(2)10(11)9(14)7-4-3-5-8(13)6-7/h3-6,9,11,13-14H,1-2H3/b11-10-
InChIKeyNOTYLIOFWMOMFP-KHPPLWFESA-N
XLogP0.96
TPSA67.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide?
The IUPAC name of 2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide (CID 130033757) is 2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide.
What is the SMILES notation for 2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide?
The canonical SMILES for 2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide is [H]/N=C(/C(O)c1cccc(O)c1)N(C)C.
What is the InChIKey of 2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide?
The InChIKey is NOTYLIOFWMOMFP-KHPPLWFESA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12(2)10(11)9(14)7-4-3-5-8(13)6-7/h3-6,9,11,13-14H,1-2H3/b11-10-.
What are the key properties of 2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide?
2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide has a molecular weight of 194.23 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(3-hydroxyphenyl)-N,N-dimethylethanimidamide is sourced from PubChem (CID 130033757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).