2-[(N-ethylanilino)methyl]-4-fluorophenol

C15H16FNO — CID 102978616

IUPAC2-[(N-ethylanilino)methyl]-4-fluorophenol
SMILESCCN(Cc1cc(F)ccc1O)c1ccccc1
InChIInChI=1S/C15H16FNO/c1-2-17(14-6-4-3-5-7-14)11-12-10-13(16)8-9-15(12)18/h3-10,18H,2,11H2,1H3
InChIKeyVNICBMHUJUNFPD-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.56
Rot. Bonds4

About 2-[(N-ethylanilino)methyl]-4-fluorophenol

2-[(N-ethylanilino)methyl]-4-fluorophenol (PubChem CID 102978616) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[(N-ethylanilino)methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(N-ethylanilino)methyl]-4-fluorophenol
PubChem CID102978616
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-[(N-ethylanilino)methyl]-4-fluorophenol
SMILESCCN(Cc1cc(F)ccc1O)c1ccccc1
InChIInChI=1S/C15H16FNO/c1-2-17(14-6-4-3-5-7-14)11-12-10-13(16)8-9-15(12)18/h3-10,18H,2,11H2,1H3
InChIKeyVNICBMHUJUNFPD-UHFFFAOYSA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.56
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-ethyl-2-methylanilino)methyl]-4-fluorophenol
CID 107701862
2-[(N-ethylanilino)methyl]-6-fluorophenol
CID 112616054
2-[(N-ethylanilino)methyl]-5-fluorobenzenecarboximidamide
CID 63290879
2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline
CID 61076053
2-[(N-ethyl-4-methylanilino)methyl]-4-fluoroaniline
CID 62002385
2-[(N-ethyl-3-fluoroanilino)methyl]-5-fluoroaniline
CID 64767821
2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol
CID 82981518
2-[4-chloro-N-[(5-fluoro-2-hydroxyphenyl)methyl]anilino]acetic acid
CID 107701771
3-[N-[(5-fluoro-2-methylphenyl)methyl]anilino]propanoic acid
CID 105372393
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline
CID 64763898
2,4-dichloro-6-[(N-ethylanilino)methyl]phenol
CID 82974543
4-[3-[(N-ethylanilino)methyl]-4-fluorophenyl]-2-methylbut-3-yn-2-ol
CID 68865611

Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethylanilino)methyl]-4-fluorophenol?
The IUPAC name of 2-[(N-ethylanilino)methyl]-4-fluorophenol (CID 102978616) is 2-[(N-ethylanilino)methyl]-4-fluorophenol.
What is the SMILES notation for 2-[(N-ethylanilino)methyl]-4-fluorophenol?
The canonical SMILES for 2-[(N-ethylanilino)methyl]-4-fluorophenol is CCN(Cc1cc(F)ccc1O)c1ccccc1.
What is the InChIKey of 2-[(N-ethylanilino)methyl]-4-fluorophenol?
The InChIKey is VNICBMHUJUNFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-2-17(14-6-4-3-5-7-14)11-12-10-13(16)8-9-15(12)18/h3-10,18H,2,11H2,1H3.
What are the key properties of 2-[(N-ethylanilino)methyl]-4-fluorophenol?
2-[(N-ethylanilino)methyl]-4-fluorophenol has a molecular weight of 245.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethylanilino)methyl]-4-fluorophenol is sourced from PubChem (CID 102978616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).