N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide

C11H17N3O2 — CID 81364426

IUPACN'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide
SMILESCOc1ccc([C@@H](C)NC/C(N)=N/O)cc1
InChIInChI=1S/C11H17N3O2/c1-8(13-7-11(12)14-15)9-3-5-10(16-2)6-4-9/h3-6,8,13,15H,7H2,1-2H3,(H2,12,14)/t8-/m1/s1
InChIKeyUVNOAZQHCICRTO-MRVPVSSYSA-N
MW223.28 g/mol
LogP1.09
Rot. Bonds5

About N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide

N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide (PubChem CID 81364426) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide
PubChem CID81364426
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide
SMILESCOc1ccc([C@@H](C)NC/C(N)=N/O)cc1
InChIInChI=1S/C11H17N3O2/c1-8(13-7-11(12)14-15)9-3-5-10(16-2)6-4-9/h3-6,8,13,15H,7H2,1-2H3,(H2,12,14)/t8-/m1/s1
InChIKeyUVNOAZQHCICRTO-MRVPVSSYSA-N
XLogP1.09
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide 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

N'-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]butanimidamide
CID 77114499
N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide
CID 77029615
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81371329
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371407
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371487
(E)-3-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 106437933
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-N-(1-methoxypropan-2-yl)acetamide
CID 81371403
N'-hydroxy-2-[1-(4-methoxyphenyl)ethylamino]butanimidamide
CID 77114501
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 106170555

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide (CID 81364426) is N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide is COc1ccc([C@@H](C)NC/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide?
The InChIKey is UVNOAZQHCICRTO-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(13-7-11(12)14-15)9-3-5-10(16-2)6-4-9/h3-6,8,13,15H,7H2,1-2H3,(H2,12,14)/t8-/m1/s1.
What are the key properties of N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide?
N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide has a molecular weight of 223.28 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide is sourced from PubChem (CID 81364426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).