3-(2,4-dimethylphenyl)-4-fluoroaniline

C14H14FN — CID 104781174

IUPAC3-(2,4-dimethylphenyl)-4-fluoroaniline
SMILESCc1ccc(-c2cc(N)ccc2F)c(C)c1
InChIInChI=1S/C14H14FN/c1-9-3-5-12(10(2)7-9)13-8-11(16)4-6-14(13)15/h3-8H,16H2,1-2H3
InChIKeySMNQJULQOQHTKV-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.69
Rot. Bonds1

About 3-(2,4-dimethylphenyl)-4-fluoroaniline

3-(2,4-dimethylphenyl)-4-fluoroaniline (PubChem CID 104781174) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-4-fluoroaniline
PubChem CID104781174
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name3-(2,4-dimethylphenyl)-4-fluoroaniline
SMILESCc1ccc(-c2cc(N)ccc2F)c(C)c1
InChIInChI=1S/C14H14FN/c1-9-3-5-12(10(2)7-9)13-8-11(16)4-6-14(13)15/h3-8H,16H2,1-2H3
InChIKeySMNQJULQOQHTKV-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

3-(2,4-dimethylphenyl)-4-methylaniline
CID 63334523
4-amino-2-(2,4-dimethylphenyl)phenol
CID 22706633
3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
CID 90222645
1-[5-(chloromethyl)-2-fluorophenyl]-2,4-dimethylbenzene
CID 82119039
4-(5-amino-2-fluorophenyl)-2,5-dimethylbenzaldehyde
CID 165456739
3-(2,5-difluorophenyl)-4-fluoroaniline
CID 104781179
4-fluoro-3-(4-methyl-2-pyridinyl)aniline
CID 22473541
4-(3-fluoro-2-methylphenyl)-3-methylaniline
CID 115502785
5-(2,4-dimethylphenyl)-2-fluorophenol
CID 53219279
ethane;4-fluoro-3-methylaniline
CID 142250330
1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66479816
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-4-fluoroaniline?
The IUPAC name of 3-(2,4-dimethylphenyl)-4-fluoroaniline (CID 104781174) is 3-(2,4-dimethylphenyl)-4-fluoroaniline.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-4-fluoroaniline?
The canonical SMILES for 3-(2,4-dimethylphenyl)-4-fluoroaniline is Cc1ccc(-c2cc(N)ccc2F)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-4-fluoroaniline?
The InChIKey is SMNQJULQOQHTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c1-9-3-5-12(10(2)7-9)13-8-11(16)4-6-14(13)15/h3-8H,16H2,1-2H3.
What are the key properties of 3-(2,4-dimethylphenyl)-4-fluoroaniline?
3-(2,4-dimethylphenyl)-4-fluoroaniline 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 3-(2,4-dimethylphenyl)-4-fluoroaniline is sourced from PubChem (CID 104781174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).