4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline

C14H13ClFNO — CID 55024304

IUPAC4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline
SMILESFc1ccccc1OCCNc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClFNO/c15-11-5-7-12(8-6-11)17-9-10-18-14-4-2-1-3-13(14)16/h1-8,17H,9-10H2
InChIKeySCMKURHQQNEKQR-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.97
Rot. Bonds5

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

4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline (PubChem CID 55024304) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline
PubChem CID55024304
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline
SMILESFc1ccccc1OCCNc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClFNO/c15-11-5-7-12(8-6-11)17-9-10-18-14-4-2-1-3-13(14)16/h1-8,17H,9-10H2
InChIKeySCMKURHQQNEKQR-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-chloro-N-[2-(2-prop-1-enylphenoxy)ethyl]aniline
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N-[3-(2,3-difluorophenoxy)propyl]aniline
CID 55143618
N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
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N-[2-(2-chlorophenoxy)ethyl]-4-propoxyaniline
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4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline?
The IUPAC name of 4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline (CID 55024304) is 4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline?
The canonical SMILES for 4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline is Fc1ccccc1OCCNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline?
The InChIKey is SCMKURHQQNEKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-11-5-7-12(8-6-11)17-9-10-18-14-4-2-1-3-13(14)16/h1-8,17H,9-10H2.
What are the key properties of 4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline?
4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline has a molecular weight of 265.72 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline is sourced from PubChem (CID 55024304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).