2-(2-amino-3-ethanimidoylphenyl)propan-2-ol

C11H16N2O — CID 126605955

IUPAC2-(2-amino-3-ethanimidoylphenyl)propan-2-ol
SMILES[H]/N=C(\C)c1cccc(C(C)(C)O)c1N
InChIInChI=1S/C11H16N2O/c1-7(12)8-5-4-6-9(10(8)13)11(2,3)14/h4-6,12,14H,13H2,1-3H3/b12-7+
InChIKeyNAGYGJUKIRPTJM-KPKJPENVSA-N
MW192.26 g/mol
LogP1.88
Rot. Bonds2

About 2-(2-amino-3-ethanimidoylphenyl)propan-2-ol

2-(2-amino-3-ethanimidoylphenyl)propan-2-ol (PubChem CID 126605955) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(2-amino-3-ethanimidoylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-amino-3-ethanimidoylphenyl)propan-2-ol
PubChem CID126605955
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(2-amino-3-ethanimidoylphenyl)propan-2-ol
SMILES[H]/N=C(\C)c1cccc(C(C)(C)O)c1N
InChIInChI=1S/C11H16N2O/c1-7(12)8-5-4-6-9(10(8)13)11(2,3)14/h4-6,12,14H,13H2,1-3H3/b12-7+
InChIKeyNAGYGJUKIRPTJM-KPKJPENVSA-N
XLogP1.88
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.88
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-ethanimidoylphenyl)propan-2-ol?
The IUPAC name of 2-(2-amino-3-ethanimidoylphenyl)propan-2-ol (CID 126605955) is 2-(2-amino-3-ethanimidoylphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-amino-3-ethanimidoylphenyl)propan-2-ol?
The canonical SMILES for 2-(2-amino-3-ethanimidoylphenyl)propan-2-ol is [H]/N=C(\C)c1cccc(C(C)(C)O)c1N.
What is the InChIKey of 2-(2-amino-3-ethanimidoylphenyl)propan-2-ol?
The InChIKey is NAGYGJUKIRPTJM-KPKJPENVSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(12)8-5-4-6-9(10(8)13)11(2,3)14/h4-6,12,14H,13H2,1-3H3/b12-7+.
What are the key properties of 2-(2-amino-3-ethanimidoylphenyl)propan-2-ol?
2-(2-amino-3-ethanimidoylphenyl)propan-2-ol has a molecular weight of 192.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-ethanimidoylphenyl)propan-2-ol is sourced from PubChem (CID 126605955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).