N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline

C14H13ClFN — CID 28879324

IUPACN-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
SMILESCc1ccc(NCc2ccccc2Cl)c(F)c1
InChIInChI=1S/C14H13ClFN/c1-10-6-7-14(13(16)8-10)17-9-11-4-2-3-5-12(11)15/h2-8,17H,9H2,1H3
InChIKeySHTDJDCEHKMTEA-UHFFFAOYSA-N
MW249.72 g/mol
LogP4.40
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline

N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline (PubChem CID 28879324) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
PubChem CID28879324
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC NameN-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
SMILESCc1ccc(NCc2ccccc2Cl)c(F)c1
InChIInChI=1S/C14H13ClFN/c1-10-6-7-14(13(16)8-10)17-9-11-4-2-3-5-12(11)15/h2-8,17H,9H2,1H3
InChIKeySHTDJDCEHKMTEA-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-chlorophenyl)methyl]-2-fluoro-4-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-ethylphenyl)methyl]-2-fluoro-4-methylaniline
CID 63422204
N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
CID 106862168
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053756
2-[(2-fluoro-4-methylanilino)methyl]benzonitrile
CID 28879330
5-chloro-N-[(2-chlorophenyl)methyl]-2-fluoroaniline
CID 43385670
N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879315
2-fluoro-4-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772308
2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline
CID 28878906
N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline
CID 115959079
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 107634827
2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031818

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline (CID 28879324) is N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline is Cc1ccc(NCc2ccccc2Cl)c(F)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline?
The InChIKey is SHTDJDCEHKMTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-10-6-7-14(13(16)8-10)17-9-11-4-2-3-5-12(11)15/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline?
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline has a molecular weight of 249.72 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline is sourced from PubChem (CID 28879324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).