4-(2-fluoro-5-methylphenyl)-2-methylaniline

C14H14FN — CID 61026096

IUPAC4-(2-fluoro-5-methylphenyl)-2-methylaniline
SMILESCc1ccc(F)c(-c2ccc(N)c(C)c2)c1
InChIInChI=1S/C14H14FN/c1-9-3-5-13(15)12(7-9)11-4-6-14(16)10(2)8-11/h3-8H,16H2,1-2H3
InChIKeyKDKDIBZNELEULA-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.69
Rot. Bonds1

About 4-(2-fluoro-5-methylphenyl)-2-methylaniline

4-(2-fluoro-5-methylphenyl)-2-methylaniline (PubChem CID 61026096) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylphenyl)-2-methylaniline.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenyl)-2-methylaniline
PubChem CID61026096
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name4-(2-fluoro-5-methylphenyl)-2-methylaniline
SMILESCc1ccc(F)c(-c2ccc(N)c(C)c2)c1
InChIInChI=1S/C14H14FN/c1-9-3-5-13(15)12(7-9)11-4-6-14(16)10(2)8-11/h3-8H,16H2,1-2H3
InChIKeyKDKDIBZNELEULA-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(4-methylphenyl)aniline
CID 23005184
4-(4-chloro-2-methylphenyl)-2-methylaniline
CID 172652420
bis(4-(4-amino-3-methylphenyl)-2-methylaniline);hydrate
CID 67544353
4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
CID 57313034
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
2-(2-fluorophenyl)-4-methylaniline
CID 62492091
ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline
CID 144852270
[4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride
CID 168665262
2,4-dimethylaniline;methanol
CID 70633605
N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 54911835
2-fluoro-4-(2-fluoro-5-methylphenyl)benzaldehyde
CID 54912741
4-(4-amino-3-methylphenyl)-2-methylaniline;carbanide;ethane;4-methylaniline;yttrium
CID 159328687

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylphenyl)-2-methylaniline?
The IUPAC name of 4-(2-fluoro-5-methylphenyl)-2-methylaniline (CID 61026096) is 4-(2-fluoro-5-methylphenyl)-2-methylaniline.
What is the SMILES notation for 4-(2-fluoro-5-methylphenyl)-2-methylaniline?
The canonical SMILES for 4-(2-fluoro-5-methylphenyl)-2-methylaniline is Cc1ccc(F)c(-c2ccc(N)c(C)c2)c1.
What is the InChIKey of 4-(2-fluoro-5-methylphenyl)-2-methylaniline?
The InChIKey is KDKDIBZNELEULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c1-9-3-5-13(15)12(7-9)11-4-6-14(16)10(2)8-11/h3-8H,16H2,1-2H3.
What are the key properties of 4-(2-fluoro-5-methylphenyl)-2-methylaniline?
4-(2-fluoro-5-methylphenyl)-2-methylaniline has a molecular weight of 215.27 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylphenyl)-2-methylaniline is sourced from PubChem (CID 61026096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).