4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline

C14H13F2NO — CID 107593742

IUPAC4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline
SMILESCOc1cccc(-c2cc(N)c(C)cc2F)c1F
InChIInChI=1S/C14H13F2NO/c1-8-6-11(15)10(7-12(8)17)9-4-3-5-13(18-2)14(9)16/h3-7H,17H2,1-2H3
InChIKeyZCJDJGYFYGQRCL-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.53
Rot. Bonds2

About 4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline

4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline (PubChem CID 107593742) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline.

Molecular Properties

Compound Name4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline
PubChem CID107593742
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline
SMILESCOc1cccc(-c2cc(N)c(C)cc2F)c1F
InChIInChI=1S/C14H13F2NO/c1-8-6-11(15)10(7-12(8)17)9-4-3-5-13(18-2)14(9)16/h3-7H,17H2,1-2H3
InChIKeyZCJDJGYFYGQRCL-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline
CID 107593741
5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline
CID 107593656
4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline
CID 107593812
4-(2,3-difluorophenyl)-5-fluoro-2-methylaniline
CID 171916628
4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline
CID 107593669
2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline
CID 171921707
6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 82811355
3-fluoro-4-(2-fluoro-3-methoxyphenyl)benzaldehyde
CID 82811705
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876946
5-(2-fluoro-3-methoxyphenyl)-3-methylpyridin-2-amine
CID 83170169
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569
4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid
CID 53226448

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline?
The IUPAC name of 4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline (CID 107593742) is 4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline.
What is the SMILES notation for 4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline?
The canonical SMILES for 4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline is COc1cccc(-c2cc(N)c(C)cc2F)c1F.
What is the InChIKey of 4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline?
The InChIKey is ZCJDJGYFYGQRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-8-6-11(15)10(7-12(8)17)9-4-3-5-13(18-2)14(9)16/h3-7H,17H2,1-2H3.
What are the key properties of 4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline?
4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline has a molecular weight of 249.26 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline is sourced from PubChem (CID 107593742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).