4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline

C15H17FN2 — CID 175068481

IUPAC4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline
SMILESCc1cc(-c2ccc(N(C)C)cc2)cc(F)c1N
InChIInChI=1S/C15H17FN2/c1-10-8-12(9-14(16)15(10)17)11-4-6-13(7-5-11)18(2)3/h4-9H,17H2,1-3H3
InChIKeyYYOARBJFOOCLOK-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.45
Rot. Bonds2

About 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline

4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline (PubChem CID 175068481) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline
PubChem CID175068481
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline
SMILESCc1cc(-c2ccc(N(C)C)cc2)cc(F)c1N
InChIInChI=1S/C15H17FN2/c1-10-8-12(9-14(16)15(10)17)11-4-6-13(7-5-11)18(2)3/h4-9H,17H2,1-3H3
InChIKeyYYOARBJFOOCLOK-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.45
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

o-Tolidine
CID 8413
Leucomalachite green
CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Leucocrystal Violet
CID 69048
Solvent Yellow 34
CID 10298
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
C.I. Basic Yellow 2
CID 17170
3,3'-Dimethylbenzidine dihydrochloride
CID 108938
4-Dimethylaminostilbene
CID 640024
N,N,N',N'-Tetramethylbenzidine
CID 9702
1,2-Dihydro-2,2,4-trimethyl-6-phenylquinoline
CID 77098
4,4'-Methylenebis(N-methylaniline)
CID 15735

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline (CID 175068481) is 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline is Cc1cc(-c2ccc(N(C)C)cc2)cc(F)c1N.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline?
The InChIKey is YYOARBJFOOCLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-10-8-12(9-14(16)15(10)17)11-4-6-13(7-5-11)18(2)3/h4-9H,17H2,1-3H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline?
4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline has a molecular weight of 244.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-2-fluoro-6-methylaniline is sourced from PubChem (CID 175068481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).