5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline

C15H15ClFN — CID 55198647

IUPAC5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline
SMILESCc1cccc(CNc2cc(Cl)ccc2F)c1C
InChIInChI=1S/C15H15ClFN/c1-10-4-3-5-12(11(10)2)9-18-15-8-13(16)6-7-14(15)17/h3-8,18H,9H2,1-2H3
InChIKeyQNSWMGGHCLRXJJ-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.71
Rot. Bonds3

About 5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline

5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline (PubChem CID 55198647) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline
PubChem CID55198647
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline
SMILESCc1cccc(CNc2cc(Cl)ccc2F)c1C
InChIInChI=1S/C15H15ClFN/c1-10-4-3-5-12(11(10)2)9-18-15-8-13(16)6-7-14(15)17/h3-8,18H,9H2,1-2H3
InChIKeyQNSWMGGHCLRXJJ-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509081
5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-nitroaniline
CID 63429420
N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
CID 114254476
5-chloro-N-[(2-chlorophenyl)methyl]-2-fluoroaniline
CID 43385670
3,5-dichloro-N-[(2,3-dimethylphenyl)methyl]aniline
CID 55198820
2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 112606398
N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772
N-[(2,3-dimethylphenyl)methyl]-3,4,5-trifluoroaniline
CID 62809302
2-bromo-5-chloro-N-[(2,3-dimethylphenyl)methyl]-4-methylaniline
CID 104723045
5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 43385725
4-chloro-N-[(2-methylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 29045449
2-[(4-chloro-2-iodoanilino)methyl]-6-methylphenol
CID 107631732

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline?
The IUPAC name of 5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline (CID 55198647) is 5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for 5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline?
The canonical SMILES for 5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline is Cc1cccc(CNc2cc(Cl)ccc2F)c1C.
What is the InChIKey of 5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline?
The InChIKey is QNSWMGGHCLRXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10-4-3-5-12(11(10)2)9-18-15-8-13(16)6-7-14(15)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline?
5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline has a molecular weight of 263.74 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 55198647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).