4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol

C12H18FNO2 — CID 107694004

IUPAC4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol
SMILESCCN(CCOC)Cc1ccc(O)c(F)c1
InChIInChI=1S/C12H18FNO2/c1-3-14(6-7-16-2)9-10-4-5-12(15)11(13)8-10/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyVWJRKJNRDPWBIX-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.00
Rot. Bonds6

About 4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol

4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol (PubChem CID 107694004) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol
PubChem CID107694004
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol
SMILESCCN(CCOC)Cc1ccc(O)c(F)c1
InChIInChI=1S/C12H18FNO2/c1-3-14(6-7-16-2)9-10-4-5-12(15)11(13)8-10/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyVWJRKJNRDPWBIX-UHFFFAOYSA-N
XLogP2.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-3-fluorophenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 81441647
4-[[ethyl(2-methoxyethyl)amino]methyl]-2,6-dimethylphenol
CID 82986228
4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol
CID 79038153
N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 51086801
[4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorophenyl]boronic acid
CID 54970679
4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol
CID 107693937
N-ethyl-2-methoxy-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62434714
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
CID 102999096
3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid
CID 55136245
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methoxyethanamine
CID 106268683
2-bromo-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 82981827
2-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 82982520

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol?
The IUPAC name of 4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol (CID 107694004) is 4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol is CCN(CCOC)Cc1ccc(O)c(F)c1.
What is the InChIKey of 4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol?
The InChIKey is VWJRKJNRDPWBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-3-14(6-7-16-2)9-10-4-5-12(15)11(13)8-10/h4-5,8,15H,3,6-7,9H2,1-2H3.
What are the key properties of 4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol?
4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol has a molecular weight of 227.28 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methoxyethyl)amino]methyl]-2-fluorophenol is sourced from PubChem (CID 107694004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).