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

C15H15ClFN — CID 55026237

IUPAC4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline
SMILESCc1cc(C)cc(CNc2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H15ClFN/c1-10-5-11(2)7-12(6-10)9-18-15-4-3-13(16)8-14(15)17/h3-8,18H,9H2,1-2H3
InChIKeyUPFZKYGYVYTIEE-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.71
Rot. Bonds3

About 4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline

4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline (PubChem CID 55026237) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline
PubChem CID55026237
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline
SMILESCc1cc(C)cc(CNc2ccc(Cl)cc2F)c1
InChIInChI=1S/C15H15ClFN/c1-10-5-11(2)7-12(6-10)9-18-15-4-3-13(16)8-14(15)17/h3-8,18H,9H2,1-2H3
InChIKeyUPFZKYGYVYTIEE-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

4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
CID 43229744
4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 60789911
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645041
N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879315
N-[(3,5-dimethylphenyl)methyl]-2,3-difluoroaniline
CID 54978785
4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol
CID 28932248
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
N-[(3-bromo-4-chlorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 83236223
2,4,5-trichloro-N-[(3,5-dimethylphenyl)methyl]aniline
CID 63419324
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 28879321

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline?
The IUPAC name of 4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline (CID 55026237) is 4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for 4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline?
The canonical SMILES for 4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline is Cc1cc(C)cc(CNc2ccc(Cl)cc2F)c1.
What is the InChIKey of 4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline?
The InChIKey is UPFZKYGYVYTIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10-5-11(2)7-12(6-10)9-18-15-4-3-13(16)8-14(15)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline?
4-chloro-N-[(3,5-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 4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 55026237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).