2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline

C15H15ClFN — CID 107527051

IUPAC2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline
SMILESCc1ccc(CNc2cc(F)ccc2Cl)c(C)c1
InChIInChI=1S/C15H15ClFN/c1-10-3-4-12(11(2)7-10)9-18-15-8-13(17)5-6-14(15)16/h3-8,18H,9H2,1-2H3
InChIKeyVVYOPADCAHXHSC-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.71
Rot. Bonds3

About 2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline

2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline (PubChem CID 107527051) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline
PubChem CID107527051
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline
SMILESCc1ccc(CNc2cc(F)ccc2Cl)c(C)c1
InChIInChI=1S/C15H15ClFN/c1-10-3-4-12(11(2)7-10)9-18-15-8-13(17)5-6-14(15)16/h3-8,18H,9H2,1-2H3
InChIKeyVVYOPADCAHXHSC-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

2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline
CID 83081787
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline
CID 63448392
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 107634827
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 29034748
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419053
N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415
3-chloro-4-[(2-chloro-5-fluoroanilino)methyl]benzonitrile
CID 107528339
N-[(5-bromo-2-chlorophenyl)methyl]-5-fluoro-2-methylaniline
CID 114076385
4-[(2-chloro-5-methylanilino)methyl]-3-fluorobenzonitrile
CID 103768039
2-chloro-N-[(3,5-difluorophenyl)methyl]-5-fluoroaniline
CID 107526967

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline?
The IUPAC name of 2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline (CID 107527051) is 2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline.
What is the SMILES notation for 2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline?
The canonical SMILES for 2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline is Cc1ccc(CNc2cc(F)ccc2Cl)c(C)c1.
What is the InChIKey of 2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline?
The InChIKey is VVYOPADCAHXHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10-3-4-12(11(2)7-10)9-18-15-8-13(17)5-6-14(15)16/h3-8,18H,9H2,1-2H3.
What are the key properties of 2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline?
2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-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 2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline is sourced from PubChem (CID 107527051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).