N'-[3-(1-hydroxyethyl)phenyl]ethanimidamide

C10H14N2O — CID 10729965

IUPACN'-[3-(1-hydroxyethyl)phenyl]ethanimidamide
SMILESC/C(N)=N\c1cccc(C(C)O)c1
InChIInChI=1S/C10H14N2O/c1-7(13)9-4-3-5-10(6-9)12-8(2)11/h3-7,13H,1-2H3,(H2,11,12)
InChIKeyONKRXNFSBLZBRK-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.75
Rot. Bonds2

About N'-[3-(1-hydroxyethyl)phenyl]ethanimidamide

N'-[3-(1-hydroxyethyl)phenyl]ethanimidamide (PubChem CID 10729965) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N'-[3-(1-hydroxyethyl)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-(1-hydroxyethyl)phenyl]ethanimidamide
PubChem CID10729965
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN'-[3-(1-hydroxyethyl)phenyl]ethanimidamide
SMILESC/C(N)=N\c1cccc(C(C)O)c1
InChIInChI=1S/C10H14N2O/c1-7(13)9-4-3-5-10(6-9)12-8(2)11/h3-7,13H,1-2H3,(H2,11,12)
InChIKeyONKRXNFSBLZBRK-UHFFFAOYSA-N
XLogP1.75
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N'-[3-(1-hydroxyethyl)phenyl]ethanimidamide?
The IUPAC name of N'-[3-(1-hydroxyethyl)phenyl]ethanimidamide (CID 10729965) is N'-[3-(1-hydroxyethyl)phenyl]ethanimidamide.
What is the SMILES notation for N'-[3-(1-hydroxyethyl)phenyl]ethanimidamide?
The canonical SMILES for N'-[3-(1-hydroxyethyl)phenyl]ethanimidamide is C/C(N)=N\c1cccc(C(C)O)c1.
What is the InChIKey of N'-[3-(1-hydroxyethyl)phenyl]ethanimidamide?
The InChIKey is ONKRXNFSBLZBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(13)9-4-3-5-10(6-9)12-8(2)11/h3-7,13H,1-2H3,(H2,11,12).
What are the key properties of N'-[3-(1-hydroxyethyl)phenyl]ethanimidamide?
N'-[3-(1-hydroxyethyl)phenyl]ethanimidamide has a molecular weight of 178.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-hydroxyethyl)phenyl]ethanimidamide is sourced from PubChem (CID 10729965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).