3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline

C16H18FNO — CID 173364392

IUPAC3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline
SMILESCOc1ccc(-c2c(F)cccc2N(C)C)cc1C
InChIInChI=1S/C16H18FNO/c1-11-10-12(8-9-15(11)19-4)16-13(17)6-5-7-14(16)18(2)3/h5-10H,1-4H3
InChIKeyJRCKWIZFXYHGTI-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.88
Rot. Bonds3

About 3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline

3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline (PubChem CID 173364392) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline
PubChem CID173364392
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline
SMILESCOc1ccc(-c2c(F)cccc2N(C)C)cc1C
InChIInChI=1S/C16H18FNO/c1-11-10-12(8-9-15(11)19-4)16-13(17)6-5-7-14(16)18(2)3/h5-10H,1-4H3
InChIKeyJRCKWIZFXYHGTI-UHFFFAOYSA-N
XLogP3.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene
CID 134628428
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
7-(2-fluoro-6-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
CID 59837689
2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 171921336
3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine
CID 115127025
formaldehyde;bis(1-methoxy-2-methyl-4-(3-methylphenyl)benzene)
CID 175275695
1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 118991494
3-fluoro-4-(4-methoxy-3-methylphenyl)aniline
CID 65436397
(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 62650016
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
2-[2,3-bis(4-methoxy-3-methylphenyl)phenyl]ethanol
CID 173306019
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline?
The IUPAC name of 3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline (CID 173364392) is 3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline.
What is the SMILES notation for 3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline?
The canonical SMILES for 3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline is COc1ccc(-c2c(F)cccc2N(C)C)cc1C.
What is the InChIKey of 3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline?
The InChIKey is JRCKWIZFXYHGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-10-12(8-9-15(11)19-4)16-13(17)6-5-7-14(16)18(2)3/h5-10H,1-4H3.
What are the key properties of 3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline?
3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline has a molecular weight of 259.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-methoxy-3-methylphenyl)-N,N-dimethylaniline is sourced from PubChem (CID 173364392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).