N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C13H21ClN2O — CID 55070478

IUPACN'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2O/c1-16(9-7-15-8-10-17-2)11-12-3-5-13(14)6-4-12/h3-6,15H,7-11H2,1-2H3
InChIKeyJATVAFMOZLSOBX-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.01
Rot. Bonds8

About N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 55070478) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID55070478
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2O/c1-16(9-7-15-8-10-17-2)11-12-3-5-13(14)6-4-12/h3-6,15H,7-11H2,1-2H3
InChIKeyJATVAFMOZLSOBX-UHFFFAOYSA-N
XLogP2.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine 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'-[(3-chloro-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 113409328
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908421
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62411649
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62557056
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347558
N'-[(4-chlorophenyl)methyl]-N-[(5-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 62556355
N'-[(3-bromo-5-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 104851463
3-[(4-chlorophenyl)methoxy]-N-(2-methoxyethyl)propan-1-amine
CID 65130444
N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 55085307
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 55088980

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 55070478) is N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCNCCN(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is JATVAFMOZLSOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-16(9-7-15-8-10-17-2)11-12-3-5-13(14)6-4-12/h3-6,15H,7-11H2,1-2H3.
What are the key properties of N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 256.78 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55070478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).