4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol

C16H17ClFNO2 — CID 104667270

IUPAC4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol
SMILESCCN(Cc1cc(Cl)cc(OC)c1O)c1ccccc1F
InChIInChI=1S/C16H17ClFNO2/c1-3-19(14-7-5-4-6-13(14)18)10-11-8-12(17)9-15(21-2)16(11)20/h4-9,20H,3,10H2,1-2H3
InChIKeyZQLHQLSPZGKYFO-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.22
Rot. Bonds5

About 4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol

4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol (PubChem CID 104667270) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol
PubChem CID104667270
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol
SMILESCCN(Cc1cc(Cl)cc(OC)c1O)c1ccccc1F
InChIInChI=1S/C16H17ClFNO2/c1-3-19(14-7-5-4-6-13(14)18)10-11-8-12(17)9-15(21-2)16(11)20/h4-9,20H,3,10H2,1-2H3
InChIKeyZQLHQLSPZGKYFO-UHFFFAOYSA-N
XLogP4.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-fluoroaniline
CID 62019121
2,4-dichloro-6-[(N-ethylanilino)methyl]phenol
CID 82974543
2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 107902818
4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol
CID 104667268
4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol
CID 104667284
4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 113436169
4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol
CID 82958062
3-[(N-ethyl-2-fluoroanilino)methyl]phenol
CID 82981692
2-[carboxymethyl-[(5-chloro-2-hydroxy-3-methoxyphenyl)methyl]amino]acetic acid
CID 104667211
2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-ethylacetamide
CID 104643530
4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
CID 82978276
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol
CID 104666546

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol?
The IUPAC name of 4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol (CID 104667270) is 4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol.
What is the SMILES notation for 4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol?
The canonical SMILES for 4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol is CCN(Cc1cc(Cl)cc(OC)c1O)c1ccccc1F.
What is the InChIKey of 4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol?
The InChIKey is ZQLHQLSPZGKYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-3-19(14-7-5-4-6-13(14)18)10-11-8-12(17)9-15(21-2)16(11)20/h4-9,20H,3,10H2,1-2H3.
What are the key properties of 4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol?
4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol has a molecular weight of 309.77 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol is sourced from PubChem (CID 104667270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).