2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine

C11H16Cl2N2O2 — CID 106890231

IUPAC2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine
SMILESCOCCOCCNc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H16Cl2N2O2/c1-16-4-5-17-3-2-15-11-9(12)6-8(14)7-10(11)13/h6-7,15H,2-5,14H2,1H3
InChIKeyGLEHBWOYTRULID-UHFFFAOYSA-N
MW279.17 g/mol
LogP2.65
Rot. Bonds7

About 2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine

2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine (PubChem CID 106890231) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine
PubChem CID106890231
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC Name2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine
SMILESCOCCOCCNc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H16Cl2N2O2/c1-16-4-5-17-3-2-15-11-9(12)6-8(14)7-10(11)13/h6-7,15H,2-5,14H2,1H3
InChIKeyGLEHBWOYTRULID-UHFFFAOYSA-N
XLogP2.65
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103179366
methyl 3-(4-amino-2,6-dichloroanilino)propanoate
CID 106890049
methyl 5-amino-3-chloro-2-(4-methoxybutylamino)benzoate
CID 107195444
5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide
CID 107196857
2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561306
2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 19807713
5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide
CID 114128998
2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline
CID 104562698
2,6-dichloro-N-(2-methoxyethyl)-4-nitroaniline
CID 104916965
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477
3,5-dichloro-N-[2-(3-methoxypropoxy)ethyl]-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 103179110
5-amino-3-chloro-2-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 107198154

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine (CID 106890231) is 2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine is COCCOCCNc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine?
The InChIKey is GLEHBWOYTRULID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2/c1-16-4-5-17-3-2-15-11-9(12)6-8(14)7-10(11)13/h6-7,15H,2-5,14H2,1H3.
What are the key properties of 2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine?
2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine has a molecular weight of 279.17 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 106890231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).