3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline

C15H15F2N — CID 114053885

IUPAC3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
SMILESCc1cc(F)cc(NCc2cc(C)ccc2F)c1
InChIInChI=1S/C15H15F2N/c1-10-3-4-15(17)12(5-10)9-18-14-7-11(2)6-13(16)8-14/h3-8,18H,9H2,1-2H3
InChIKeyQRDXGFCUGYVCBI-UHFFFAOYSA-N
MW247.29 g/mol
LogP4.19
Rot. Bonds3

About 3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline

3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline (PubChem CID 114053885) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
PubChem CID114053885
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
SMILESCc1cc(F)cc(NCc2cc(C)ccc2F)c1
InChIInChI=1S/C15H15F2N/c1-10-3-4-15(17)12(5-10)9-18-14-7-11(2)6-13(16)8-14/h3-8,18H,9H2,1-2H3
InChIKeyQRDXGFCUGYVCBI-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053753
N-[(2-fluoro-5-methylphenyl)methyl]-5-methylpyridin-3-amine
CID 103824043
2-[(3,5-difluoroanilino)methyl]-4-methylphenol
CID 63323682
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
3-bromo-4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053891
N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 60685873
3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoroaniline
CID 107364998
N-[(2-chloro-4-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054679
3-fluoro-4-[(3-fluoro-5-methylanilino)methyl]benzonitrile
CID 79054750
4-[(2-fluoro-5-methylphenyl)methylamino]benzamide
CID 103830288
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 81436065

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline?
The IUPAC name of 3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline (CID 114053885) is 3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline.
What is the SMILES notation for 3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline?
The canonical SMILES for 3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline is Cc1cc(F)cc(NCc2cc(C)ccc2F)c1.
What is the InChIKey of 3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline?
The InChIKey is QRDXGFCUGYVCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-10-3-4-15(17)12(5-10)9-18-14-7-11(2)6-13(16)8-14/h3-8,18H,9H2,1-2H3.
What are the key properties of 3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline?
3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline has a molecular weight of 247.29 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline is sourced from PubChem (CID 114053885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).