N'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide

C12H19N3O — CID 143592117

IUPACN'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide
SMILESCCN(C)CC/N=C/Nc1ccccc1O
InChIInChI=1S/C12H19N3O/c1-3-15(2)9-8-13-10-14-11-6-4-5-7-12(11)16/h4-7,10,16H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyITULJFJJAPQTSU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.78
Rot. Bonds6

About N'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide

N'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide (PubChem CID 143592117) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide.

Molecular Properties

Compound NameN'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide
PubChem CID143592117
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide
SMILESCCN(C)CC/N=C/Nc1ccccc1O
InChIInChI=1S/C12H19N3O/c1-3-15(2)9-8-13-10-14-11-6-4-5-7-12(11)16/h4-7,10,16H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyITULJFJJAPQTSU-UHFFFAOYSA-N
XLogP1.78
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'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 N'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide?
The IUPAC name of N'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide (CID 143592117) is N'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide.
What is the SMILES notation for N'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide?
The canonical SMILES for N'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide is CCN(C)CC/N=C/Nc1ccccc1O.
What is the InChIKey of N'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide?
The InChIKey is ITULJFJJAPQTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-15(2)9-8-13-10-14-11-6-4-5-7-12(11)16/h4-7,10,16H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of N'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide?
N'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide has a molecular weight of 221.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[ethyl(methyl)amino]ethyl]-N-(2-hydroxyphenyl)methanimidamide is sourced from PubChem (CID 143592117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).