2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol

C16H18FNO — CID 62810550

IUPAC2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)Nc2ccc(F)c(C)c2)c1
InChIInChI=1S/C16H18FNO/c1-10-4-7-16(19)14(8-10)12(3)18-13-5-6-15(17)11(2)9-13/h4-9,12,18-19H,1-3H3
InChIKeyWHOLEXNDOSBFAE-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.32
Rot. Bonds3

About 2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol

2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol (PubChem CID 62810550) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol
PubChem CID62810550
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol
SMILESCc1ccc(O)c(C(C)Nc2ccc(F)c(C)c2)c1
InChIInChI=1S/C16H18FNO/c1-10-4-7-16(19)14(8-10)12(3)18-13-5-6-15(17)11(2)9-13/h4-9,12,18-19H,1-3H3
InChIKeyWHOLEXNDOSBFAE-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

2-[1-(4-fluoro-3-methylanilino)ethyl]benzene-1,4-diol
CID 62810903
2-[1-(3-chloroanilino)ethyl]-4-methylphenol
CID 43504663
4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 43504634
4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol
CID 60944016
2-[1-(4-methylanilino)ethyl]benzene-1,4-diol
CID 43196503
2-[1-(1,3-benzodioxol-5-ylamino)ethyl]-4-methylphenol
CID 43504704
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline
CID 82964329
4-methyl-2-[1-(2,3,5-trifluoroanilino)ethyl]phenol
CID 62809968
2-[1-(5-bromo-2,4-difluoroanilino)ethyl]-4-methylphenol
CID 102852847
2-[1-(4-bromo-3-fluoroanilino)ethyl]-5-methylphenol
CID 65435702
2-[1-(4-butylanilino)ethyl]-4-methylphenol
CID 43504758
2-[4-[1-(2-hydroxy-5-methylphenyl)ethylamino]phenyl]acetonitrile
CID 43722347

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol?
The IUPAC name of 2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol (CID 62810550) is 2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol is Cc1ccc(O)c(C(C)Nc2ccc(F)c(C)c2)c1.
What is the InChIKey of 2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol?
The InChIKey is WHOLEXNDOSBFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-10-4-7-16(19)14(8-10)12(3)18-13-5-6-15(17)11(2)9-13/h4-9,12,18-19H,1-3H3.
What are the key properties of 2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol?
2-[1-(4-fluoro-3-methylanilino)ethyl]-4-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-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol is sourced from PubChem (CID 62810550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).