4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine

C14H13Cl2FN2O — CID 68510717

IUPAC4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine
SMILESCC(Oc1cc(N)c(N)cc1F)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H13Cl2FN2O/c1-7(14-8(15)3-2-4-9(14)16)20-13-6-12(19)11(18)5-10(13)17/h2-7H,18-19H2,1H3
InChIKeyAYZJGIYIIIYNOP-UHFFFAOYSA-N
MW315.18 g/mol
LogP4.44
Rot. Bonds3

About 4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine

4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine (PubChem CID 68510717) has the molecular formula C14H13Cl2FN2O and a molecular weight of 315.18 g/mol. Its IUPAC name is 4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine
PubChem CID68510717
Molecular FormulaC14H13Cl2FN2O
Molecular Weight315.18 g/mol
Exact Mass314.04
IUPAC Name4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine
SMILESCC(Oc1cc(N)c(N)cc1F)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H13Cl2FN2O/c1-7(14-8(15)3-2-4-9(14)16)20-13-6-12(19)11(18)5-10(13)17/h2-7H,18-19H2,1H3
InChIKeyAYZJGIYIIIYNOP-UHFFFAOYSA-N
XLogP4.44
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridin-2-amine
CID 141396970
2-N-(3-chloro-2-methylphenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63593804
2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63592041
5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline
CID 107259817
5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-methylpyridin-3-amine
CID 59231694
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline
CID 61263144
2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63878623
1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593134
phenyl N-[6-[1-(2,6-dichlorophenyl)ethoxy]-5-fluoro-1,3-benzothiazol-2-yl]carbamate
CID 141233227
5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline
CID 58022078
2-(2-chlorophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63600005

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine?
The IUPAC name of 4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine (CID 68510717) is 4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine is CC(Oc1cc(N)c(N)cc1F)c1c(Cl)cccc1Cl.
What is the InChIKey of 4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine?
The InChIKey is AYZJGIYIIIYNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2O/c1-7(14-8(15)3-2-4-9(14)16)20-13-6-12(19)11(18)5-10(13)17/h2-7H,18-19H2,1H3.
What are the key properties of 4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine?
4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine has a molecular weight of 315.18 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 68510717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).