N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline

C14H11ClF3N — CID 114842579

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
SMILESCc1ccc(F)c(NCc2cc(Cl)ccc2F)c1F
InChIInChI=1S/C14H11ClF3N/c1-8-2-4-12(17)14(13(8)18)19-7-9-6-10(15)3-5-11(9)16/h2-6,19H,7H2,1H3
InChIKeyIOGAXXICJBAYKB-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.68
Rot. Bonds3

About N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline

N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline (PubChem CID 114842579) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
PubChem CID114842579
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
SMILESCc1ccc(F)c(NCc2cc(Cl)ccc2F)c1F
InChIInChI=1S/C14H11ClF3N/c1-8-2-4-12(17)14(13(8)18)19-7-9-6-10(15)3-5-11(9)16/h2-6,19H,7H2,1H3
InChIKeyIOGAXXICJBAYKB-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-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

N-[(2,5-dimethylphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818225
2-[(2,6-difluoro-3-methylanilino)methyl]phenol
CID 82815772
N-[(4-chloro-3-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818227
2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline
CID 114841513
N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline
CID 114075525
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol
CID 82815902
N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818043
N-[(2-bromo-5-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818482
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818051
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,6-difluoro-3-methylaniline
CID 83089818

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline (CID 114842579) is N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline is Cc1ccc(F)c(NCc2cc(Cl)ccc2F)c1F.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline?
The InChIKey is IOGAXXICJBAYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c1-8-2-4-12(17)14(13(8)18)19-7-9-6-10(15)3-5-11(9)16/h2-6,19H,7H2,1H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline?
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline has a molecular weight of 285.70 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline is sourced from PubChem (CID 114842579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).