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

C15H15F2N — CID 114053781

IUPAC2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
SMILESCc1ccc(F)c(CNc2cc(C)ccc2F)c1
InChIInChI=1S/C15H15F2N/c1-10-3-5-13(16)12(7-10)9-18-15-8-11(2)4-6-14(15)17/h3-8,18H,9H2,1-2H3
InChIKeyLQLKWHKETBYWHL-UHFFFAOYSA-N
MW247.29 g/mol
LogP4.19
Rot. Bonds3

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

2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline (PubChem CID 114053781) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
PubChem CID114053781
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
SMILESCc1ccc(F)c(CNc2cc(C)ccc2F)c1
InChIInChI=1S/C15H15F2N/c1-10-3-5-13(16)12(7-10)9-18-15-8-11(2)4-6-14(15)17/h3-8,18H,9H2,1-2H3
InChIKeyLQLKWHKETBYWHL-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

2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772787
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053756
2-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylbenzene-1,2-diamine
CID 115126354
N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 66160456
4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053753
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663705
3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053885
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline?
The IUPAC name of 2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline (CID 114053781) is 2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline?
The canonical SMILES for 2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline is Cc1ccc(F)c(CNc2cc(C)ccc2F)c1.
What is the InChIKey of 2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline?
The InChIKey is LQLKWHKETBYWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c1-10-3-5-13(16)12(7-10)9-18-15-8-11(2)4-6-14(15)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline?
2-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 2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline is sourced from PubChem (CID 114053781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).