2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine

C12H18Cl2N2O2 — CID 106890000

IUPAC2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCN(CCOC)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H18Cl2N2O2/c1-17-5-3-16(4-6-18-2)12-10(13)7-9(15)8-11(12)14/h7-8H,3-6,15H2,1-2H3
InChIKeyHXRKJEWGFAROFZ-UHFFFAOYSA-N
MW293.19 g/mol
LogP2.67
Rot. Bonds7

About 2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine

2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine (PubChem CID 106890000) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
PubChem CID106890000
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCN(CCOC)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H18Cl2N2O2/c1-17-5-3-16(4-6-18-2)12-10(13)7-9(15)8-11(12)14/h7-8H,3-6,15H2,1-2H3
InChIKeyHXRKJEWGFAROFZ-UHFFFAOYSA-N
XLogP2.67
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine
CID 106890192
ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate
CID 107196691
methyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate
CID 107194741
methyl 5-amino-3-chloro-2-[2-cyanoethyl(2-methoxyethyl)amino]benzoate
CID 107195834
2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 54985046
4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82949208
3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine
CID 62531981
2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 18371796
2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 106890203
2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
CID 114067710
3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927
3,5-dichloro-4-(3-methoxypropylsulfanyl)aniline
CID 106891356

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine (CID 106890000) is 2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine is COCCN(CCOC)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine?
The InChIKey is HXRKJEWGFAROFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2/c1-17-5-3-16(4-6-18-2)12-10(13)7-9(15)8-11(12)14/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine?
2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine has a molecular weight of 293.19 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine is sourced from PubChem (CID 106890000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).