2-(3-fluoro-2-methylphenyl)-4-methylaniline

C14H14FN — CID 115502782

IUPAC2-(3-fluoro-2-methylphenyl)-4-methylaniline
SMILESCc1ccc(N)c(-c2cccc(F)c2C)c1
InChIInChI=1S/C14H14FN/c1-9-6-7-14(16)12(8-9)11-4-3-5-13(15)10(11)2/h3-8H,16H2,1-2H3
InChIKeyAYNHZYFFINXXJN-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.69
Rot. Bonds1

About 2-(3-fluoro-2-methylphenyl)-4-methylaniline

2-(3-fluoro-2-methylphenyl)-4-methylaniline (PubChem CID 115502782) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylphenyl)-4-methylaniline.

Molecular Properties

Compound Name2-(3-fluoro-2-methylphenyl)-4-methylaniline
PubChem CID115502782
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name2-(3-fluoro-2-methylphenyl)-4-methylaniline
SMILESCc1ccc(N)c(-c2cccc(F)c2C)c1
InChIInChI=1S/C14H14FN/c1-9-6-7-14(16)12(8-9)11-4-3-5-13(15)10(11)2/h3-8H,16H2,1-2H3
InChIKeyAYNHZYFFINXXJN-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-(2-fluorophenyl)-4-methylaniline
CID 62492091
3-(2-amino-5-methylphenyl)-2-methylaniline
CID 68787486
2-fluoro-6-(3-fluoro-2-methylphenyl)aniline
CID 107602875
4-(3-fluoro-2-methylphenyl)-3-methylaniline
CID 115502785
2-ethyl-4-(3-fluoro-2-methylphenyl)aniline
CID 113324468
2-(3,5-difluorophenyl)-4-methylaniline
CID 61025824
2-fluoro-4-methylaniline;hydrochloride
CID 139976919
bis[2-(2-amino-5-methylphenyl)phenyl]methanone
CID 139990315
1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene
CID 143240223
2-[2-(3-fluorophenyl)-5-methylphenyl]aniline
CID 102219851
2-(2-fluorophenyl)-1,4-dimethylbenzene
CID 66641436
2-(2,6-difluoro-4-methoxyphenyl)-4-methylaniline
CID 54912439

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylphenyl)-4-methylaniline?
The IUPAC name of 2-(3-fluoro-2-methylphenyl)-4-methylaniline (CID 115502782) is 2-(3-fluoro-2-methylphenyl)-4-methylaniline.
What is the SMILES notation for 2-(3-fluoro-2-methylphenyl)-4-methylaniline?
The canonical SMILES for 2-(3-fluoro-2-methylphenyl)-4-methylaniline is Cc1ccc(N)c(-c2cccc(F)c2C)c1.
What is the InChIKey of 2-(3-fluoro-2-methylphenyl)-4-methylaniline?
The InChIKey is AYNHZYFFINXXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c1-9-6-7-14(16)12(8-9)11-4-3-5-13(15)10(11)2/h3-8H,16H2,1-2H3.
What are the key properties of 2-(3-fluoro-2-methylphenyl)-4-methylaniline?
2-(3-fluoro-2-methylphenyl)-4-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 2-(3-fluoro-2-methylphenyl)-4-methylaniline is sourced from PubChem (CID 115502782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).