N-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline

C21H20FNO3 — CID 101074590

IUPACN-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(F)cc2)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C21H20FNO3/c1-24-19-10-8-17(9-11-19)23(16-6-4-15(22)5-7-16)18-12-20(25-2)14-21(13-18)26-3/h4-14H,1-3H3
InChIKeySECOSNSZQIGWGE-UHFFFAOYSA-N
MW353.39 g/mol
LogP5.32
Rot. Bonds6

About N-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline

N-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline (PubChem CID 101074590) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline
PubChem CID101074590
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC NameN-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(F)cc2)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C21H20FNO3/c1-24-19-10-8-17(9-11-19)23(16-6-4-15(22)5-7-16)18-12-20(25-2)14-21(13-18)26-3/h4-14H,1-3H3
InChIKeySECOSNSZQIGWGE-UHFFFAOYSA-N
XLogP5.32
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.39
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline
CID 101074592
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane
CID 145450258
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
1,1,2-trifluoro-2-(4-methoxyphenyl)hydrazine
CID 175078547
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine
CID 139606545

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline?
The IUPAC name of N-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline (CID 101074590) is N-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline.
What is the SMILES notation for N-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline?
The canonical SMILES for N-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline is COc1ccc(N(c2ccc(F)cc2)c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline?
The InChIKey is SECOSNSZQIGWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-24-19-10-8-17(9-11-19)23(16-6-4-15(22)5-7-16)18-12-20(25-2)14-21(13-18)26-3/h4-14H,1-3H3.
What are the key properties of N-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline?
N-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline has a molecular weight of 353.39 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3,5-dimethoxy-N-(4-methoxyphenyl)aniline is sourced from PubChem (CID 101074590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).