N'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide

C11H17N3O — CID 164623471

IUPACN'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide
SMILESC/C(N)=N\CCC(O)c1ccccc1N
InChIInChI=1S/C11H17N3O/c1-8(12)14-7-6-11(15)9-4-2-3-5-10(9)13/h2-5,11,15H,6-7,13H2,1H3,(H2,12,14)
InChIKeyLQVGUUBVKCMHNP-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.07
Rot. Bonds4

About N'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide

N'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide (PubChem CID 164623471) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide
PubChem CID164623471
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide
SMILESC/C(N)=N\CCC(O)c1ccccc1N
InChIInChI=1S/C11H17N3O/c1-8(12)14-7-6-11(15)9-4-2-3-5-10(9)13/h2-5,11,15H,6-7,13H2,1H3,(H2,12,14)
InChIKeyLQVGUUBVKCMHNP-UHFFFAOYSA-N
XLogP1.07
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide?
The IUPAC name of N'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide (CID 164623471) is N'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide.
What is the SMILES notation for N'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide?
The canonical SMILES for N'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide is C/C(N)=N\CCC(O)c1ccccc1N.
What is the InChIKey of N'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide?
The InChIKey is LQVGUUBVKCMHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(12)14-7-6-11(15)9-4-2-3-5-10(9)13/h2-5,11,15H,6-7,13H2,1H3,(H2,12,14).
What are the key properties of N'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide?
N'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide has a molecular weight of 207.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-aminophenyl)-3-hydroxypropyl]ethanimidamide is sourced from PubChem (CID 164623471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).