2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline

C14H13F2N — CID 28879450

IUPAC2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline
SMILESCc1ccc(F)c(NCc2cccc(F)c2)c1
InChIInChI=1S/C14H13F2N/c1-10-5-6-13(16)14(7-10)17-9-11-3-2-4-12(15)8-11/h2-8,17H,9H2,1H3
InChIKeyMDOBKPKPFBAFGN-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.89
Rot. Bonds3

About 2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline

2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline (PubChem CID 28879450) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline
PubChem CID28879450
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline
SMILESCc1ccc(F)c(NCc2cccc(F)c2)c1
InChIInChI=1S/C14H13F2N/c1-10-5-6-13(16)14(7-10)17-9-11-3-2-4-12(15)8-11/h2-8,17H,9H2,1H3
InChIKeyMDOBKPKPFBAFGN-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline 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

2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
4-[(2-fluoro-5-methylanilino)methyl]benzene-1,2-diol
CID 28968371
N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 28879400
N-[(3-bromo-4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 105401099
2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760447
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 43235538
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
2-fluoro-5-methyl-N-(quinolin-6-ylmethyl)aniline
CID 28968475
N-[(3-fluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329306

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline?
The IUPAC name of 2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline (CID 28879450) is 2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline?
The canonical SMILES for 2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline is Cc1ccc(F)c(NCc2cccc(F)c2)c1.
What is the InChIKey of 2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline?
The InChIKey is MDOBKPKPFBAFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c1-10-5-6-13(16)14(7-10)17-9-11-3-2-4-12(15)8-11/h2-8,17H,9H2,1H3.
What are the key properties of 2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline?
2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline has a molecular weight of 233.26 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline is sourced from PubChem (CID 28879450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).