N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline

C15H14F3NO — CID 43099103

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline
SMILESCC(Nc1cccc(F)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H14F3NO/c1-10(19-13-4-2-3-12(16)9-13)11-5-7-14(8-6-11)20-15(17)18/h2-10,15,19H,1H3
InChIKeyPXIQQUXTQFAFIW-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.60
Rot. Bonds5

About N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline (PubChem CID 43099103) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline
PubChem CID43099103
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline
SMILESCC(Nc1cccc(F)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H14F3NO/c1-10(19-13-4-2-3-12(16)9-13)11-5-7-14(8-6-11)20-15(17)18/h2-10,15,19H,1H3
InChIKeyPXIQQUXTQFAFIW-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-iodoaniline
CID 43124494
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604
3-fluoro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43094821
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoro-4-methylaniline
CID 43100863
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3,4-dimethylaniline
CID 43110389
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43104475
4-(difluoromethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43103644
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline
CID 43194273
2-chloro-4-[1-[4-(difluoromethoxy)phenyl]ethylamino]phenol
CID 107678509
3-chloro-5-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 107363886

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline (CID 43099103) is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline is CC(Nc1cccc(F)c1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline?
The InChIKey is PXIQQUXTQFAFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-10(19-13-4-2-3-12(16)9-13)11-5-7-14(8-6-11)20-15(17)18/h2-10,15,19H,1H3.
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline?
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline has a molecular weight of 281.28 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoroaniline is sourced from PubChem (CID 43099103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).