2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline

C17H20FN — CID 43772787

IUPAC2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCc1ccc(F)c(NCc2cc(C)c(C)cc2C)c1
InChIInChI=1S/C17H20FN/c1-11-5-6-16(18)17(7-11)19-10-15-9-13(3)12(2)8-14(15)4/h5-9,19H,10H2,1-4H3
InChIKeyRUOTVEWDEJRWHO-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.67
Rot. Bonds3

About 2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline

2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline (PubChem CID 43772787) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
PubChem CID43772787
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
SMILESCc1ccc(F)c(NCc2cc(C)c(C)cc2C)c1
InChIInChI=1S/C17H20FN/c1-11-5-6-16(18)17(7-11)19-10-15-9-13(3)12(2)8-14(15)4/h5-9,19H,10H2,1-4H3
InChIKeyRUOTVEWDEJRWHO-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772308
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 66160456
4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43766570
2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663705
5-methyl-2-nitro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 115912414
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672518
2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773134
methyl 3-[(2,5-dimethylphenyl)methylamino]-4-fluorobenzoate
CID 60728602

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The IUPAC name of 2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline (CID 43772787) is 2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline is Cc1ccc(F)c(NCc2cc(C)c(C)cc2C)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
The InChIKey is RUOTVEWDEJRWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-11-5-6-16(18)17(7-11)19-10-15-9-13(3)12(2)8-14(15)4/h5-9,19H,10H2,1-4H3.
What are the key properties of 2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline?
2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline has a molecular weight of 257.35 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline is sourced from PubChem (CID 43772787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).