3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide

C11H16ClN3O — CID 81378564

IUPAC3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide
SMILESC[C@@H](NCC/C(N)=N/O)c1ccccc1Cl
InChIInChI=1S/C11H16ClN3O/c1-8(14-7-6-11(13)15-16)9-4-2-3-5-10(9)12/h2-5,8,14,16H,6-7H2,1H3,(H2,13,15)/t8-/m1/s1
InChIKeyQGAOQBZYSJIMAF-MRVPVSSYSA-N
MW241.72 g/mol
LogP2.13
Rot. Bonds5

About 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide

3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide (PubChem CID 81378564) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide
PubChem CID81378564
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide
SMILESC[C@@H](NCC/C(N)=N/O)c1ccccc1Cl
InChIInChI=1S/C11H16ClN3O/c1-8(14-7-6-11(13)15-16)9-4-2-3-5-10(9)12/h2-5,8,14,16H,6-7H2,1H3,(H2,13,15)/t8-/m1/s1
InChIKeyQGAOQBZYSJIMAF-MRVPVSSYSA-N
XLogP2.13
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide 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

5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide
CID 81378812
5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 81378246
ethyl 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propanoate
CID 81378408
N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide
CID 112688495
2-[[1-(2-chlorophenyl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77031145
N'-[1-(2-chlorophenyl)ethyl]butane-1,4-diamine
CID 60895776
N-carbamoyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 81377573
3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide
CID 81366931
(E)-N-[1-(2-chlorophenyl)ethyl]pent-3-en-1-amine
CID 115677066
(1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 81379566
2-[1-(2-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide
CID 77031297
methyl 4-[1-(2-chlorophenyl)ethylamino]butanoate
CID 60694137

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide (CID 81378564) is 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide is C[C@@H](NCC/C(N)=N/O)c1ccccc1Cl.
What is the InChIKey of 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide?
The InChIKey is QGAOQBZYSJIMAF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8(14-7-6-11(13)15-16)9-4-2-3-5-10(9)12/h2-5,8,14,16H,6-7H2,1H3,(H2,13,15)/t8-/m1/s1.
What are the key properties of 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide?
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide has a molecular weight of 241.72 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 81378564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).