ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol

C11H18FNO — CID 155581862

IUPACethane;2-fluoro-4-[2-(methylamino)ethyl]phenol
SMILESCC.CNCCc1ccc(O)c(F)c1
InChIInChI=1S/C9H12FNO.C2H6/c1-11-5-4-7-2-3-9(12)8(10)6-7;1-2/h2-3,6,11-12H,4-5H2,1H3;1-2H3
InChIKeyYWKLMLGAHXLQBT-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.32
Rot. Bonds3

About ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol

ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol (PubChem CID 155581862) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol.

Molecular Properties

Compound Nameethane;2-fluoro-4-[2-(methylamino)ethyl]phenol
PubChem CID155581862
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Nameethane;2-fluoro-4-[2-(methylamino)ethyl]phenol
SMILESCC.CNCCc1ccc(O)c(F)c1
InChIInChI=1S/C9H12FNO.C2H6/c1-11-5-4-7-2-3-9(12)8(10)6-7;1-2/h2-3,6,11-12H,4-5H2,1H3;1-2H3
InChIKeyYWKLMLGAHXLQBT-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[2-(propylamino)ethyl]phenol
CID 107693740
fluoro-methyl-tritio-λ3-iodane;4-[2-(methylamino)ethyl]benzene-1,2-diol
CID 158050846
N-methyl-2-(3,4,5-trifluorophenyl)ethanamine
CID 64866186
2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline
CID 117108084
4-[3-(methylamino)propyl]benzene-1,2-diol
CID 14515291
4-(fluoromethyl)-2-[2-(methylamino)ethyl]phenol
CID 84659130
4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol
CID 107685294
2-fluoro-4-[(4-fluorophenyl)methyl]phenol
CID 151291019
4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 70357784
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-methylethanesulfonamide
CID 106333461
2-fluoro-4-(2-methylprop-2-enyl)phenol
CID 142516267
2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol
CID 117293116

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol?
The IUPAC name of ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol (CID 155581862) is ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol.
What is the SMILES notation for ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol?
The canonical SMILES for ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol is CC.CNCCc1ccc(O)c(F)c1.
What is the InChIKey of ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol?
The InChIKey is YWKLMLGAHXLQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO.C2H6/c1-11-5-4-7-2-3-9(12)8(10)6-7;1-2/h2-3,6,11-12H,4-5H2,1H3;1-2H3.
What are the key properties of ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol?
ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol has a molecular weight of 199.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol is sourced from PubChem (CID 155581862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).