N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide

C10H14ClN3O — CID 62544326

IUPACN-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide
SMILESCOCC/N=C(\NN)c1ccccc1Cl
InChIInChI=1S/C10H14ClN3O/c1-15-7-6-13-10(14-12)8-4-2-3-5-9(8)11/h2-5H,6-7,12H2,1H3,(H,13,14)
InChIKeyLQRHBZYKNQQQOQ-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.20
Rot. Bonds4

About N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide

N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide (PubChem CID 62544326) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide
PubChem CID62544326
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC NameN-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide
SMILESCOCC/N=C(\NN)c1ccccc1Cl
InChIInChI=1S/C10H14ClN3O/c1-15-7-6-13-10(14-12)8-4-2-3-5-9(8)11/h2-5H,6-7,12H2,1H3,(H,13,14)
InChIKeyLQRHBZYKNQQQOQ-UHFFFAOYSA-N
XLogP1.20
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide 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-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62542671
N-amino-2,3-dimethoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62543676
N-amino-N'-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboximidamide
CID 62543345
N-amino-2-methoxy-N'-(2-methoxyethyl)-5-methylbenzenecarboximidamide
CID 62543831
N-amino-4-bromo-2-fluoro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62544317
N-amino-N'-(2-methoxyethyl)pyrazine-2-carboximidamide
CID 62543670
N-amino-2-chloro-N'-(2-methylphenyl)benzenecarboximidamide
CID 19847843
N-amino-N'-(2-methoxyethyl)quinoxaline-6-carboximidamide
CID 62876430
N-amino-N'-(2-methoxyethyl)thiadiazole-5-carboximidamide
CID 65215060
1-amino-3-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine
CID 116514806
N-amino-2,3-dichloro-N'-propan-2-ylbenzenecarboximidamide
CID 61361489
N-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide
CID 61361467

Frequently Asked Questions

What is the IUPAC name of N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide?
The IUPAC name of N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide (CID 62544326) is N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide.
What is the SMILES notation for N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide?
The canonical SMILES for N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide is COCC/N=C(\NN)c1ccccc1Cl.
What is the InChIKey of N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide?
The InChIKey is LQRHBZYKNQQQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-15-7-6-13-10(14-12)8-4-2-3-5-9(8)11/h2-5H,6-7,12H2,1H3,(H,13,14).
What are the key properties of N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide?
N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide has a molecular weight of 227.69 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-chloro-N'-(2-methoxyethyl)benzenecarboximidamide is sourced from PubChem (CID 62544326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).