N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline

C17H20F2N2 — CID 43747251

IUPACN-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline
SMILESCC(Nc1ccc(CN(C)C)cc1)c1c(F)cccc1F
InChIInChI=1S/C17H20F2N2/c1-12(17-15(18)5-4-6-16(17)19)20-14-9-7-13(8-10-14)11-21(2)3/h4-10,12,20H,11H2,1-3H3
InChIKeyHWUUJKUAFMEDKW-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.20
Rot. Bonds5

About N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline

N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline (PubChem CID 43747251) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline
PubChem CID43747251
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline
SMILESCC(Nc1ccc(CN(C)C)cc1)c1c(F)cccc1F
InChIInChI=1S/C17H20F2N2/c1-12(17-15(18)5-4-6-16(17)19)20-14-9-7-13(8-10-14)11-21(2)3/h4-10,12,20H,11H2,1-3H3
InChIKeyHWUUJKUAFMEDKW-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[1-(2,6-difluorophenyl)ethylamino]phenyl]ethanol
CID 61236588
N-[1-(2,6-difluorophenyl)ethyl]-4-methylsulfanylaniline
CID 43192263
4-[(dimethylamino)methyl]-N-(2,6-dimethylheptan-4-yl)aniline
CID 43747152
N-[1-(5-bromofuran-2-yl)ethyl]-4-[(dimethylamino)methyl]aniline
CID 104652692
4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 115916765
3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline
CID 107572509
4-[(dimethylamino)methyl]-N-[1-(2,5-dimethylfuran-3-yl)ethyl]aniline
CID 43747364
3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43688866
4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43791361
N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline
CID 43191040
4-[(dimethylamino)methyl]-N-heptan-2-ylaniline
CID 43747151
4-[(dimethylamino)methyl]-N-methylaniline
CID 59619039

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline (CID 43747251) is N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline is CC(Nc1ccc(CN(C)C)cc1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline?
The InChIKey is HWUUJKUAFMEDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-12(17-15(18)5-4-6-16(17)19)20-14-9-7-13(8-10-14)11-21(2)3/h4-10,12,20H,11H2,1-3H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline?
N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline has a molecular weight of 290.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-4-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 43747251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).