4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline

C14H13ClFN — CID 43229744

IUPAC4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H13ClFN/c1-10-2-4-11(5-3-10)9-17-14-7-6-12(15)8-13(14)16/h2-8,17H,9H2,1H3
InChIKeyVEQLYVVGDMYOGH-UHFFFAOYSA-N
MW249.72 g/mol
LogP4.40
Rot. Bonds3

About 4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline

4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline (PubChem CID 43229744) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
PubChem CID43229744
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C14H13ClFN/c1-10-2-4-11(5-3-10)9-17-14-7-6-12(15)8-13(14)16/h2-8,17H,9H2,1H3
InChIKeyVEQLYVVGDMYOGH-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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879315
4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline
CID 55026237
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
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 28879321
4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 60789911
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
N-[(3-bromo-4-chlorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 83236223
N-[(3-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 83235178
4-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 43438420
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63420408

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline?
The IUPAC name of 4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline (CID 43229744) is 4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline?
The canonical SMILES for 4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline is Cc1ccc(CNc2ccc(Cl)cc2F)cc1.
What is the InChIKey of 4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline?
The InChIKey is VEQLYVVGDMYOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-10-2-4-11(5-3-10)9-17-14-7-6-12(15)8-13(14)16/h2-8,17H,9H2,1H3.
What are the key properties of 4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline?
4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline 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 4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 43229744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).