N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline

C14H12Cl2FNO — CID 63505890

IUPACN-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCOc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H12Cl2FNO/c15-10-1-6-13(16)14(9-10)19-8-7-18-12-4-2-11(17)3-5-12/h1-6,9,18H,7-8H2
InChIKeyVYCCWWUEWLMQIJ-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.62
Rot. Bonds5

About N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline

N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline (PubChem CID 63505890) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline
PubChem CID63505890
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC NameN-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCOc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H12Cl2FNO/c15-10-1-6-13(16)14(9-10)19-8-7-18-12-4-2-11(17)3-5-12/h1-6,9,18H,7-8H2
InChIKeyVYCCWWUEWLMQIJ-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.62
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

3-chloro-N-[2-(2,5-dichlorophenoxy)ethyl]aniline
CID 63505403
4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline
CID 63506191
4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline
CID 55024304
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
CID 55195145
N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline
CID 63505941
3-(2,5-dichlorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 62028936
2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride
CID 146675459
2-[3-(2,5-dichlorophenoxy)propylamino]ethanol
CID 2865584
3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline
CID 54798735
N-[2-(2-chlorophenoxy)ethyl]aniline
CID 19079516
N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline
CID 62785083
4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505392

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline?
The IUPAC name of N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline (CID 63505890) is N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline.
What is the SMILES notation for N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline?
The canonical SMILES for N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline is Fc1ccc(NCCOc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline?
The InChIKey is VYCCWWUEWLMQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-10-1-6-13(16)14(9-10)19-8-7-18-12-4-2-11(17)3-5-12/h1-6,9,18H,7-8H2.
What are the key properties of N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline?
N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline has a molecular weight of 300.16 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline is sourced from PubChem (CID 63505890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).