N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline

C16H17F2NO2 — CID 43192574

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline
SMILESCOc1ccc(OC)c(C(C)Nc2cc(F)ccc2F)c1
InChIInChI=1S/C16H17F2NO2/c1-10(19-15-8-11(17)4-6-14(15)18)13-9-12(20-2)5-7-16(13)21-3/h4-10,19H,1-3H3
InChIKeyQOTOAXVAXDPJKB-UHFFFAOYSA-N
MW293.31 g/mol
LogP4.16
Rot. Bonds5

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline

N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline (PubChem CID 43192574) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline
PubChem CID43192574
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline
SMILESCOc1ccc(OC)c(C(C)Nc2cc(F)ccc2F)c1
InChIInChI=1S/C16H17F2NO2/c1-10(19-15-8-11(17)4-6-14(15)18)13-9-12(20-2)5-7-16(13)21-3/h4-10,19H,1-3H3
InChIKeyQOTOAXVAXDPJKB-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline
CID 107632180
N-[1-(2,5-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192587
5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43438309
N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192585
1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 2955398
N-[1-(5-chloro-2-methoxyphenyl)ethyl]-5-fluoro-2-methylsulfonylaniline
CID 58707298
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43192576
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol
CID 110897338
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43760240
N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline
CID 43192925
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline (CID 43192574) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline is COc1ccc(OC)c(C(C)Nc2cc(F)ccc2F)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline?
The InChIKey is QOTOAXVAXDPJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-10(19-15-8-11(17)4-6-14(15)18)13-9-12(20-2)5-7-16(13)21-3/h4-10,19H,1-3H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline has a molecular weight of 293.31 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline is sourced from PubChem (CID 43192574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).