5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol

C19H25FN2O2 — CID 136571867

IUPAC5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol
SMILESCC(NCc1ccccc1OCCN(C)C)c1ccc(F)c(O)c1
InChIInChI=1S/C19H25FN2O2/c1-14(15-8-9-17(20)18(23)12-15)21-13-16-6-4-5-7-19(16)24-11-10-22(2)3/h4-9,12,14,21,23H,10-11,13H2,1-3H3
InChIKeyIMIOZKWXGLWJAK-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.32
Rot. Bonds8

About 5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol

5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol (PubChem CID 136571867) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol.

Molecular Properties

Compound Name5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol
PubChem CID136571867
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol
SMILESCC(NCc1ccccc1OCCN(C)C)c1ccc(F)c(O)c1
InChIInChI=1S/C19H25FN2O2/c1-14(15-8-9-17(20)18(23)12-15)21-13-16-6-4-5-7-19(16)24-11-10-22(2)3/h4-9,12,14,21,23H,10-11,13H2,1-3H3
InChIKeyIMIOZKWXGLWJAK-UHFFFAOYSA-N
XLogP3.32
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
CID 43221588
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine
CID 71178192
N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine
CID 62433074
1-(4-chloro-3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82890179
N-methyl-1-methylsulfanyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]propan-2-amine
CID 115987871
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 110948236
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylpropan-1-amine
CID 62420920
2-amino-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669936
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide
CID 56823330
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol?
The IUPAC name of 5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol (CID 136571867) is 5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol.
What is the SMILES notation for 5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol?
The canonical SMILES for 5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol is CC(NCc1ccccc1OCCN(C)C)c1ccc(F)c(O)c1.
What is the InChIKey of 5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol?
The InChIKey is IMIOZKWXGLWJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-14(15-8-9-17(20)18(23)12-15)21-13-16-6-4-5-7-19(16)24-11-10-22(2)3/h4-9,12,14,21,23H,10-11,13H2,1-3H3.
What are the key properties of 5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol?
5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol has a molecular weight of 332.42 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethyl]-2-fluorophenol is sourced from PubChem (CID 136571867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).