N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline

C15H14F3NO — CID 114838632

IUPACN-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline
SMILESCOc1cc(NC(C)c2ccc(F)c(F)c2)ccc1F
InChIInChI=1S/C15H14F3NO/c1-9(10-3-5-12(16)14(18)7-10)19-11-4-6-13(17)15(8-11)20-2/h3-9,19H,1-2H3
InChIKeyDRAFREAXAWSBNJ-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.29
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline

N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline (PubChem CID 114838632) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline
PubChem CID114838632
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline
SMILESCOc1cc(NC(C)c2ccc(F)c(F)c2)ccc1F
InChIInChI=1S/C15H14F3NO/c1-9(10-3-5-12(16)14(18)7-10)19-11-4-6-13(17)15(8-11)20-2/h3-9,19H,1-2H3
InChIKeyDRAFREAXAWSBNJ-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838027
3,4,5-trifluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]aniline
CID 83058996
2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
CID 95624444
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3,4-dimethoxyaniline
CID 43108298
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
CID 43196392
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline
CID 83059340
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43100313
2-chloro-5-[1-(4-fluoro-3-methoxyphenyl)ethylamino]benzonitrile
CID 83060054
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43110360
3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43193828

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline (CID 114838632) is N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline is COc1cc(NC(C)c2ccc(F)c(F)c2)ccc1F.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline?
The InChIKey is DRAFREAXAWSBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-9(10-3-5-12(16)14(18)7-10)19-11-4-6-13(17)15(8-11)20-2/h3-9,19H,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline?
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline has a molecular weight of 281.28 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline is sourced from PubChem (CID 114838632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).