(4-hydroxyphenyl) 2-amino-N-benzylethanimidate

C15H16N2O2 — CID 91579179

IUPAC(4-hydroxyphenyl) 2-amino-N-benzylethanimidate
SMILESNC/C(=N\Cc1ccccc1)Oc1ccc(O)cc1
InChIInChI=1S/C15H16N2O2/c16-10-15(17-11-12-4-2-1-3-5-12)19-14-8-6-13(18)7-9-14/h1-9,18H,10-11,16H2/b17-15+
InChIKeyPQVDMINQYRNSGS-BMRADRMJSA-N
MW256.31 g/mol
LogP2.33
Rot. Bonds4

About (4-hydroxyphenyl) 2-amino-N-benzylethanimidate

(4-hydroxyphenyl) 2-amino-N-benzylethanimidate (PubChem CID 91579179) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (4-hydroxyphenyl) 2-amino-N-benzylethanimidate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 2-amino-N-benzylethanimidate
PubChem CID91579179
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(4-hydroxyphenyl) 2-amino-N-benzylethanimidate
SMILESNC/C(=N\Cc1ccccc1)Oc1ccc(O)cc1
InChIInChI=1S/C15H16N2O2/c16-10-15(17-11-12-4-2-1-3-5-12)19-14-8-6-13(18)7-9-14/h1-9,18H,10-11,16H2/b17-15+
InChIKeyPQVDMINQYRNSGS-BMRADRMJSA-N
XLogP2.33
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-hydroxyphenyl) 2-amino-N-benzylethanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-benzylbenzenecarboximidate
CID 4210228
N'-benzylpropanimidamide
CID 45122449
(4-hydroxyphenyl) 4-phenylbutanoate
CID 66680445
N'-benzyl-N-methoxybenzenecarboximidamide
CID 118529903
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
N'-benzyl-2-hydroxyethanimidamide
CID 90668671
2-benzylimino-2-cyclopentylethanamine
CID 144840714
2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate
CID 177483315
bis(4-chlorophenol);phenylmethanamine
CID 70600603
naphthalene-2,6-diol;phenylmethanamine
CID 139184911
naphthalene-2,6-diol;phenylmethanamine
CID 11482538
2-benzyl-1-ethyl-3-[(4-hydroxyphenyl)methyl]guanidine
CID 110953698

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 2-amino-N-benzylethanimidate?
The IUPAC name of (4-hydroxyphenyl) 2-amino-N-benzylethanimidate (CID 91579179) is (4-hydroxyphenyl) 2-amino-N-benzylethanimidate.
What is the SMILES notation for (4-hydroxyphenyl) 2-amino-N-benzylethanimidate?
The canonical SMILES for (4-hydroxyphenyl) 2-amino-N-benzylethanimidate is NC/C(=N\Cc1ccccc1)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) 2-amino-N-benzylethanimidate?
The InChIKey is PQVDMINQYRNSGS-BMRADRMJSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-10-15(17-11-12-4-2-1-3-5-12)19-14-8-6-13(18)7-9-14/h1-9,18H,10-11,16H2/b17-15+.
What are the key properties of (4-hydroxyphenyl) 2-amino-N-benzylethanimidate?
(4-hydroxyphenyl) 2-amino-N-benzylethanimidate has a molecular weight of 256.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 2-amino-N-benzylethanimidate is sourced from PubChem (CID 91579179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).