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

C14H13F2N — CID 28879321

IUPAC2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C14H13F2N/c1-10-2-7-14(13(16)8-10)17-9-11-3-5-12(15)6-4-11/h2-8,17H,9H2,1H3
InChIKeyRCSIZYOECVTVKJ-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.89
Rot. Bonds3

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

2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline (PubChem CID 28879321) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
PubChem CID28879321
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C14H13F2N/c1-10-2-7-14(13(16)8-10)17-9-11-3-5-12(15)6-4-11/h2-8,17H,9H2,1H3
InChIKeyRCSIZYOECVTVKJ-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.89
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-2-fluoro-N-[(4-methylphenyl)methyl]aniline
CID 43229744
2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-methylaniline
CID 104953898
methyl 4-[(2-fluoro-4-methylanilino)methyl]benzoate
CID 28879318
2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43230038
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
CID 82539246
N-[(3-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 83235178
2-fluoro-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylaniline
CID 115350292
2-fluoro-4-methyl-N-[(4-phenylmethoxyphenyl)methyl]aniline
CID 113221978
2-fluoro-4-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772308
3-fluoro-4-[(4-fluorophenyl)methylamino]benzoic acid
CID 62710952
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline
CID 28890884

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline?
The IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline (CID 28879321) is 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline?
The canonical SMILES for 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline is Cc1ccc(NCc2ccc(F)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline?
The InChIKey is RCSIZYOECVTVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c1-10-2-7-14(13(16)8-10)17-9-11-3-5-12(15)6-4-11/h2-8,17H,9H2,1H3.
What are the key properties of 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline?
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline has a molecular weight of 233.26 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline is sourced from PubChem (CID 28879321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).