5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide

C18H23BrFNO — CID 14901824

IUPAC5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide
SMILESBr.CCN(CCc1ccccc1)CCc1ccc(F)c(O)c1
InChIInChI=1S/C18H22FNO.BrH/c1-2-20(12-10-15-6-4-3-5-7-15)13-11-16-8-9-17(19)18(21)14-16;/h3-9,14,21H,2,10-13H2,1H3;1H
InChIKeyWNTBEEQNAWTRHS-UHFFFAOYSA-N
MW368.29 g/mol
LogP4.22
Rot. Bonds7

About 5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide

5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide (PubChem CID 14901824) has the molecular formula C18H23BrFNO and a molecular weight of 368.29 g/mol. Its IUPAC name is 5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide.

Molecular Properties

Compound Name5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide
PubChem CID14901824
Molecular FormulaC18H23BrFNO
Molecular Weight368.29 g/mol
Exact Mass367.09
IUPAC Name5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide
SMILESBr.CCN(CCc1ccccc1)CCc1ccc(F)c(O)c1
InChIInChI=1S/C18H22FNO.BrH/c1-2-20(12-10-15-6-4-3-5-7-15)13-11-16-8-9-17(19)18(21)14-16;/h3-9,14,21H,2,10-13H2,1H3;1H
InChIKeyWNTBEEQNAWTRHS-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(dipropylamino)ethyl]-2-fluorophenol;hydrobromide
CID 14901828
N-ethyl-N-[2-(4-fluoro-3-methoxyphenyl)ethyl]-2-phenylethanamine
CID 14901820
4-[2-[ethyl(propyl)amino]ethyl]benzene-1,2-diol;hydrochloride
CID 90672365
4-[2-[benzyl(ethyl)amino]ethyl]phenol
CID 82187934
4-[2-[butyl(ethyl)amino]ethyl]benzene-1,2-diol;hydrochloride
CID 90672367
N-[2-(4-chlorophenyl)ethyl]-N-(2-phenylethyl)propan-1-amine
CID 11370098
N-ethyl-N-(2-phenylethyl)heptan-1-amine
CID 59678043
4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol
CID 142099028
4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline
CID 83963050
2-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol
CID 84765888
1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide
CID 70412302
2-[ethyl(2-phenylethyl)amino]acetonitrile
CID 60970456

Frequently Asked Questions

What is the IUPAC name of 5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide?
The IUPAC name of 5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide (CID 14901824) is 5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide.
What is the SMILES notation for 5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide?
The canonical SMILES for 5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide is Br.CCN(CCc1ccccc1)CCc1ccc(F)c(O)c1.
What is the InChIKey of 5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide?
The InChIKey is WNTBEEQNAWTRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO.BrH/c1-2-20(12-10-15-6-4-3-5-7-15)13-11-16-8-9-17(19)18(21)14-16;/h3-9,14,21H,2,10-13H2,1H3;1H.
What are the key properties of 5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide?
5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide has a molecular weight of 368.29 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide is sourced from PubChem (CID 14901824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).