4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride

C14H21ClN2O4 — CID 88938441

IUPAC4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride
SMILES[H]/N=C(\Cl)c1cc(OCCOC)c(OCCOC)cc1NC
InChIInChI=1S/C14H21ClN2O4/c1-17-11-9-13(21-7-5-19-3)12(20-6-4-18-2)8-10(11)14(15)16/h8-9,16-17H,4-7H2,1-3H3/b16-14-
InChIKeyBHCVJXRKKXIOJH-PEZBUJJGSA-N
MW316.79 g/mol
LogP2.34
Rot. Bonds10

About 4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride

4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride (PubChem CID 88938441) has the molecular formula C14H21ClN2O4 and a molecular weight of 316.79 g/mol. Its IUPAC name is 4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride
PubChem CID88938441
Molecular FormulaC14H21ClN2O4
Molecular Weight316.79 g/mol
Exact Mass316.12
IUPAC Name4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride
SMILES[H]/N=C(\Cl)c1cc(OCCOC)c(OCCOC)cc1NC
InChIInChI=1S/C14H21ClN2O4/c1-17-11-9-13(21-7-5-19-3)12(20-6-4-18-2)8-10(11)14(15)16/h8-9,16-17H,4-7H2,1-3H3/b16-14-
InChIKeyBHCVJXRKKXIOJH-PEZBUJJGSA-N
XLogP2.34
TPSA72.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride 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

2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol
CID 143647642
dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
CID 59569387
5-[2-[4-carboxy-2-methoxy-5-(methylamino)phenoxy]ethyl]-4-chloro-2-(methylamino)benzoic acid
CID 162752140
2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid
CID 141326742
ethyl 2-(carbamothioylamino)-4,5-bis(2-methoxyethoxy)benzoate
CID 169356168
methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535
4-chloro-1-N-ethyl-5-[2-(2-methoxyethoxy)ethoxy]benzene-1,2-diamine
CID 118213596
1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone
CID 10823895
2-[2-(2-methoxyethoxy)ethoxy]-4-methylbenzenecarboximidamide
CID 113426988
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 104562366
ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
CID 143274795
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid
CID 39829304

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride?
The IUPAC name of 4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride (CID 88938441) is 4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride.
What is the SMILES notation for 4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride?
The canonical SMILES for 4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride is [H]/N=C(\Cl)c1cc(OCCOC)c(OCCOC)cc1NC.
What is the InChIKey of 4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride?
The InChIKey is BHCVJXRKKXIOJH-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H21ClN2O4/c1-17-11-9-13(21-7-5-19-3)12(20-6-4-18-2)8-10(11)14(15)16/h8-9,16-17H,4-7H2,1-3H3/b16-14-.
What are the key properties of 4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride?
4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride has a molecular weight of 316.79 g/mol, XLogP of 2.34, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2-methoxyethoxy)-2-(methylamino)benzenecarboximidoyl chloride is sourced from PubChem (CID 88938441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).