2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol

C16H18FNO — CID 107701862

IUPAC2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol
SMILESCCN(Cc1cc(F)ccc1O)c1ccccc1C
InChIInChI=1S/C16H18FNO/c1-3-18(15-7-5-4-6-12(15)2)11-13-10-14(17)8-9-16(13)19/h4-10,19H,3,11H2,1-2H3
InChIKeyKINIRUIKXSUTKZ-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.87
Rot. Bonds4

About 2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol

2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol (PubChem CID 107701862) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol
PubChem CID107701862
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol
SMILESCCN(Cc1cc(F)ccc1O)c1ccccc1C
InChIInChI=1S/C16H18FNO/c1-3-18(15-7-5-4-6-12(15)2)11-13-10-14(17)8-9-16(13)19/h4-10,19H,3,11H2,1-2H3
InChIKeyKINIRUIKXSUTKZ-UHFFFAOYSA-N
XLogP3.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(N-ethylanilino)methyl]-4-fluorophenol
CID 102978616
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline
CID 63289026
2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline
CID 64769965
1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587749
1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228309
2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 107902818
3-bromo-4-[(N-ethyl-2-methylanilino)methyl]aniline
CID 60797264
N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63503875
2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline
CID 61076053
4-fluoro-2-[[methyl-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]phenol
CID 95210782
4-fluoro-2-[[methyl(propyl)amino]methyl]phenol
CID 103947518
2-[(N-ethyl-2-methylanilino)methyl]-4-nitroaniline
CID 62183217

Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol?
The IUPAC name of 2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol (CID 107701862) is 2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol.
What is the SMILES notation for 2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol?
The canonical SMILES for 2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol is CCN(Cc1cc(F)ccc1O)c1ccccc1C.
What is the InChIKey of 2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol?
The InChIKey is KINIRUIKXSUTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-18(15-7-5-4-6-12(15)2)11-13-10-14(17)8-9-16(13)19/h4-10,19H,3,11H2,1-2H3.
What are the key properties of 2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol?
2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol has a molecular weight of 259.32 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol is sourced from PubChem (CID 107701862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).