3-(3,4-difluorophenyl)-2,5-dimethylaniline

C14H13F2N — CID 165494668

IUPAC3-(3,4-difluorophenyl)-2,5-dimethylaniline
SMILESCc1cc(N)c(C)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H13F2N/c1-8-5-11(9(2)14(17)6-8)10-3-4-12(15)13(16)7-10/h3-7H,17H2,1-2H3
InChIKeyCVVHMSPNZNIMAC-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.83
Rot. Bonds1

About 3-(3,4-difluorophenyl)-2,5-dimethylaniline

3-(3,4-difluorophenyl)-2,5-dimethylaniline (PubChem CID 165494668) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-2,5-dimethylaniline.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-2,5-dimethylaniline
PubChem CID165494668
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name3-(3,4-difluorophenyl)-2,5-dimethylaniline
SMILESCc1cc(N)c(C)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H13F2N/c1-8-5-11(9(2)14(17)6-8)10-3-4-12(15)13(16)7-10/h3-7H,17H2,1-2H3
InChIKeyCVVHMSPNZNIMAC-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3,4-difluorophenyl)-2,5-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-aminophenyl)-2,5-dimethylaniline
CID 68786442
2,5-dimethyl-3-(3-methylphenyl)aniline
CID 165494667
3-fluoro-2,5-dimethylaniline
CID 55289526
5-(3,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)aniline
CID 165458251
4-(2-fluoro-5-methylphenyl)-2-methylaniline
CID 61026096
3-(3,4-difluorophenyl)-4-fluoroaniline
CID 104781175
ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline
CID 144852270
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylaniline
CID 107289642
4-chloro-2-(3-fluoro-4-methylphenyl)aniline
CID 115502446
1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
CID 118595772
5-(3,4-difluorophenyl)-2-ethylaniline
CID 82082698
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-2,5-dimethylaniline?
The IUPAC name of 3-(3,4-difluorophenyl)-2,5-dimethylaniline (CID 165494668) is 3-(3,4-difluorophenyl)-2,5-dimethylaniline.
What is the SMILES notation for 3-(3,4-difluorophenyl)-2,5-dimethylaniline?
The canonical SMILES for 3-(3,4-difluorophenyl)-2,5-dimethylaniline is Cc1cc(N)c(C)c(-c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-2,5-dimethylaniline?
The InChIKey is CVVHMSPNZNIMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c1-8-5-11(9(2)14(17)6-8)10-3-4-12(15)13(16)7-10/h3-7H,17H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenyl)-2,5-dimethylaniline?
3-(3,4-difluorophenyl)-2,5-dimethylaniline has a molecular weight of 233.26 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-2,5-dimethylaniline is sourced from PubChem (CID 165494668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).