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

C14H14FN — CID 115502785

IUPAC4-(3-fluoro-2-methylphenyl)-3-methylaniline
SMILESCc1cc(N)ccc1-c1cccc(F)c1C
InChIInChI=1S/C14H14FN/c1-9-8-11(16)6-7-12(9)13-4-3-5-14(15)10(13)2/h3-8H,16H2,1-2H3
InChIKeyFZNBVGNPTRSTPY-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.69
Rot. Bonds1

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

4-(3-fluoro-2-methylphenyl)-3-methylaniline (PubChem CID 115502785) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-(3-fluoro-2-methylphenyl)-3-methylaniline.

Molecular Properties

Compound Name4-(3-fluoro-2-methylphenyl)-3-methylaniline
PubChem CID115502785
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name4-(3-fluoro-2-methylphenyl)-3-methylaniline
SMILESCc1cc(N)ccc1-c1cccc(F)c1C
InChIInChI=1S/C14H14FN/c1-9-8-11(16)6-7-12(9)13-4-3-5-14(15)10(13)2/h3-8H,16H2,1-2H3
InChIKeyFZNBVGNPTRSTPY-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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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methylphenyl)-3-methylaniline?
The IUPAC name of 4-(3-fluoro-2-methylphenyl)-3-methylaniline (CID 115502785) is 4-(3-fluoro-2-methylphenyl)-3-methylaniline.
What is the SMILES notation for 4-(3-fluoro-2-methylphenyl)-3-methylaniline?
The canonical SMILES for 4-(3-fluoro-2-methylphenyl)-3-methylaniline is Cc1cc(N)ccc1-c1cccc(F)c1C.
What is the InChIKey of 4-(3-fluoro-2-methylphenyl)-3-methylaniline?
The InChIKey is FZNBVGNPTRSTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c1-9-8-11(16)6-7-12(9)13-4-3-5-14(15)10(13)2/h3-8H,16H2,1-2H3.
What are the key properties of 4-(3-fluoro-2-methylphenyl)-3-methylaniline?
4-(3-fluoro-2-methylphenyl)-3-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-(3-fluoro-2-methylphenyl)-3-methylaniline is sourced from PubChem (CID 115502785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).