2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine

C14H22Cl2N2O — CID 106890192

IUPAC2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine
SMILESCCC(CC)N(CCOC)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H22Cl2N2O/c1-4-11(5-2)18(6-7-19-3)14-12(15)8-10(17)9-13(14)16/h8-9,11H,4-7,17H2,1-3H3
InChIKeyGUSLHQHLBNWECZ-UHFFFAOYSA-N
MW305.25 g/mol
LogP4.22
Rot. Bonds7

About 2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine

2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine (PubChem CID 106890192) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine
PubChem CID106890192
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC Name2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine
SMILESCCC(CC)N(CCOC)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H22Cl2N2O/c1-4-11(5-2)18(6-7-19-3)14-12(15)8-10(17)9-13(14)16/h8-9,11H,4-7,17H2,1-3H3
InChIKeyGUSLHQHLBNWECZ-UHFFFAOYSA-N
XLogP4.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 106890000
2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine
CID 63734628
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80821328
4-bromo-2-N-(2-methoxyethyl)-2-N-pentan-3-ylbenzene-1,2-diamine
CID 65342498
3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]benzamide
CID 115934610
methyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate
CID 107194741
2-N-(2-methoxyethyl)-5-methyl-2-N-pentan-3-ylpyridine-2,4-diamine
CID 83265340
5-chloro-6-(chloromethyl)-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 55003117
1-N-(2-methoxyethyl)-3-methyl-1-N-pentan-3-ylbenzene-1,2-diamine
CID 114041232
4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82949208
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyridine-3,4-diamine
CID 55004103
1-N-butan-2-yl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 55001534

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine (CID 106890192) is 2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine is CCC(CC)N(CCOC)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine?
The InChIKey is GUSLHQHLBNWECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2O/c1-4-11(5-2)18(6-7-19-3)14-12(15)8-10(17)9-13(14)16/h8-9,11H,4-7,17H2,1-3H3.
What are the key properties of 2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine?
2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine has a molecular weight of 305.25 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine is sourced from PubChem (CID 106890192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).