5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol

C16H18FNO2 — CID 43180801

IUPAC5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNC(C)c2ccc(F)cc2)cc1O
InChIInChI=1S/C16H18FNO2/c1-11(13-4-6-14(17)7-5-13)18-10-12-3-8-16(20-2)15(19)9-12/h3-9,11,18-19H,10H2,1-2H3
InChIKeyPIEIMEHIPNMKLC-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.39
Rot. Bonds5

About 5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol

5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol (PubChem CID 43180801) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol
PubChem CID43180801
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNC(C)c2ccc(F)cc2)cc1O
InChIInChI=1S/C16H18FNO2/c1-11(13-4-6-14(17)7-5-13)18-10-12-3-8-16(20-2)15(19)9-12/h3-9,11,18-19H,10H2,1-2H3
InChIKeyPIEIMEHIPNMKLC-UHFFFAOYSA-N
XLogP3.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349097
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28645174
5-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28682658
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348422
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858
2-methoxy-5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81354169
N-[[3-(4-fluorophenyl)-4-methoxyphenyl]methyl]-1-(4-methoxyphenyl)ethanamine
CID 22391215
2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol
CID 43081085
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347067
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol (CID 43180801) is 5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol is COc1ccc(CNC(C)c2ccc(F)cc2)cc1O.
What is the InChIKey of 5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol?
The InChIKey is PIEIMEHIPNMKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(13-4-6-14(17)7-5-13)18-10-12-3-8-16(20-2)15(19)9-12/h3-9,11,18-19H,10H2,1-2H3.
What are the key properties of 5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol?
5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol has a molecular weight of 275.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 43180801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).