N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine

C11H16Cl2N2O — CID 54805653

IUPACN'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H16Cl2N2O/c1-16-7-6-14-4-5-15-9-2-3-10(12)11(13)8-9/h2-3,8,14-15H,4-7H2,1H3
InChIKeyUIHXVOVYPWJQFB-UHFFFAOYSA-N
MW263.17 g/mol
LogP2.64
Rot. Bonds7

About N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine

N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 54805653) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID54805653
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC NameN'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNCCNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H16Cl2N2O/c1-16-7-6-14-4-5-15-9-2-3-10(12)11(13)8-9/h2-3,8,14-15H,4-7H2,1H3
InChIKeyUIHXVOVYPWJQFB-UHFFFAOYSA-N
XLogP2.64
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-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'-(3,4-dichlorophenyl)-N-propylethane-1,2-diamine
CID 54805609
3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
4-bromo-3-chloro-N-(2-methoxyethyl)aniline
CID 107619929
N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54805981
N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54805618
N'-(4-ethoxyphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54805879
methyl 4-[2-(2-methoxyethylamino)ethylamino]pyridine-2-carboxylate
CID 83029565
N-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 2581257
N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808092
N-(2-methoxyethyl)-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine
CID 83030913
3,4-dichloro-N-[2-(3-methylbutoxy)ethyl]aniline
CID 63490012
3,4-dichloro-N-(3-fluoropropyl)aniline
CID 81106053

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine (CID 54805653) is N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine is COCCNCCNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is UIHXVOVYPWJQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c1-16-7-6-14-4-5-15-9-2-3-10(12)11(13)8-9/h2-3,8,14-15H,4-7H2,1H3.
What are the key properties of N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine?
N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 263.17 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dichlorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 54805653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).