2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol

C16H18FNO — CID 43114127

IUPAC2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol
SMILESCc1ccc(C(C)Nc2ccc(C)cc2F)c(O)c1
InChIInChI=1S/C16H18FNO/c1-10-5-7-15(14(17)8-10)18-12(3)13-6-4-11(2)9-16(13)19/h4-9,12,18-19H,1-3H3
InChIKeyRNKUTHVXCAXMKG-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.32
Rot. Bonds3

About 2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol

2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol (PubChem CID 43114127) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol
PubChem CID43114127
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol
SMILESCc1ccc(C(C)Nc2ccc(C)cc2F)c(O)c1
InChIInChI=1S/C16H18FNO/c1-10-5-7-15(14(17)8-10)18-12(3)13-6-4-11(2)9-16(13)19/h4-9,12,18-19H,1-3H3
InChIKeyRNKUTHVXCAXMKG-UHFFFAOYSA-N
XLogP4.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline
CID 43114183
2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol
CID 63066349
2-[1-(2-chloro-4-methylanilino)ethyl]-5-fluorophenol
CID 63064776
4-fluoro-3-[1-(2-hydroxy-4-methylphenyl)ethylamino]benzoic acid
CID 43728017
2-[1-(2,4-dibromoanilino)ethyl]-5-methylphenol
CID 43682995
2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43114236
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline
CID 82964740
2-[1-(4-bromo-3-fluoroanilino)ethyl]-5-methylphenol
CID 65435702
2-[1-(4-bromo-2-chloroanilino)ethyl]-5-methylphenol
CID 43168129
2-[1-(2-bromo-6-fluoroanilino)ethyl]-5-methylphenol
CID 107598521
2-[1-(2-chloro-4,6-difluoroanilino)ethyl]-5-methylphenol
CID 83081884
2-fluoro-4-methyl-N-(1-phenylethyl)aniline
CID 43088352

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol?
The IUPAC name of 2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol (CID 43114127) is 2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol is Cc1ccc(C(C)Nc2ccc(C)cc2F)c(O)c1.
What is the InChIKey of 2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol?
The InChIKey is RNKUTHVXCAXMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-10-5-7-15(14(17)8-10)18-12(3)13-6-4-11(2)9-16(13)19/h4-9,12,18-19H,1-3H3.
What are the key properties of 2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol?
2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol has a molecular weight of 259.32 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoro-4-methylanilino)ethyl]-5-methylphenol is sourced from PubChem (CID 43114127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).