N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline

C14H12F3NO — CID 62785083

IUPACN-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCOc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C14H12F3NO/c15-10-1-3-13(4-2-10)18-5-6-19-14-8-11(16)7-12(17)9-14/h1-4,7-9,18H,5-6H2
InChIKeyNTABUVSHIJUISL-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.59
Rot. Bonds5

About N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline

N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline (PubChem CID 62785083) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline
PubChem CID62785083
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC NameN-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCOc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C14H12F3NO/c15-10-1-3-13(4-2-10)18-5-6-19-14-8-11(16)7-12(17)9-14/h1-4,7-9,18H,5-6H2
InChIKeyNTABUVSHIJUISL-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.59
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

4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline
CID 63515607
4-[2-(4-fluoroanilino)ethoxy]benzonitrile
CID 134030965
4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline
CID 55093405
4-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline
CID 63506191
N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline
CID 63505890
N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine
CID 54805927
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline
CID 81325478
1-[4-[3-(4-fluorophenoxy)propylamino]phenyl]ethanone
CID 78820464
N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline
CID 55088214
N-[2-(3,5-difluorophenoxy)ethyl]-2-ethoxyethanamine
CID 62784360
N-chloro-2-(4-fluorophenoxy)ethanamine
CID 118373465

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline?
The IUPAC name of N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline (CID 62785083) is N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline.
What is the SMILES notation for N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline?
The canonical SMILES for N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline is Fc1ccc(NCCOc2cc(F)cc(F)c2)cc1.
What is the InChIKey of N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline?
The InChIKey is NTABUVSHIJUISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-10-1-3-13(4-2-10)18-5-6-19-14-8-11(16)7-12(17)9-14/h1-4,7-9,18H,5-6H2.
What are the key properties of N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline?
N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline has a molecular weight of 267.25 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline is sourced from PubChem (CID 62785083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).