3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline

C14H13ClFNO — CID 61263144

IUPAC3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline
SMILESCC(Oc1ccc(F)cc1Cl)c1cccc(N)c1
InChIInChI=1S/C14H13ClFNO/c1-9(10-3-2-4-12(17)7-10)18-14-6-5-11(16)8-13(14)15/h2-9H,17H2,1H3
InChIKeyPGEFOGABGZGLBM-UHFFFAOYSA-N
MW265.72 g/mol
LogP4.20
Rot. Bonds3

About 3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline

3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline (PubChem CID 61263144) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline.

Molecular Properties

Compound Name3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline
PubChem CID61263144
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline
SMILESCC(Oc1ccc(F)cc1Cl)c1cccc(N)c1
InChIInChI=1S/C14H13ClFNO/c1-9(10-3-2-4-12(17)7-10)18-14-6-5-11(16)8-13(14)15/h2-9H,17H2,1H3
InChIKeyPGEFOGABGZGLBM-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-chloro-5-methylphenoxy)ethyl]aniline
CID 61262210
3-[1-(2-bromophenoxy)ethyl]aniline
CID 61262951
3-[1-(3-chlorophenoxy)ethyl]aniline
CID 61263691
1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63461040
3-[1-(3-bromo-5-fluorophenoxy)ethyl]aniline
CID 81322603
3-[1-(5-bromo-2-methylphenoxy)ethyl]aniline
CID 107283479
N-[2-[1-(3-aminophenyl)ethoxy]phenyl]acetamide
CID 61261456
5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine
CID 11529516
3-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]aniline
CID 61262577
3-[1-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 102746962
3-[1-(3-bromophenoxy)ethyl]aniline
CID 61263689
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline?
The IUPAC name of 3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline (CID 61263144) is 3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline.
What is the SMILES notation for 3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline?
The canonical SMILES for 3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline is CC(Oc1ccc(F)cc1Cl)c1cccc(N)c1.
What is the InChIKey of 3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline?
The InChIKey is PGEFOGABGZGLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9(10-3-2-4-12(17)7-10)18-14-6-5-11(16)8-13(14)15/h2-9H,17H2,1H3.
What are the key properties of 3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline?
3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline has a molecular weight of 265.72 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-4-fluorophenoxy)ethyl]aniline is sourced from PubChem (CID 61263144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).