4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol

C16H19FN2O — CID 62978067

IUPAC4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol
SMILESCC(c1ccccc1F)N(C)Cc1cc(N)ccc1O
InChIInChI=1S/C16H19FN2O/c1-11(14-5-3-4-6-15(14)17)19(2)10-12-9-13(18)7-8-16(12)20/h3-9,11,20H,10,18H2,1-2H3
InChIKeyZEKRYCKJJUUJSR-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.31
Rot. Bonds4

About 4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol

4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol (PubChem CID 62978067) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol
PubChem CID62978067
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol
SMILESCC(c1ccccc1F)N(C)Cc1cc(N)ccc1O
InChIInChI=1S/C16H19FN2O/c1-11(14-5-3-4-6-15(14)17)19(2)10-12-9-13(18)7-8-16(12)20/h3-9,11,20H,10,18H2,1-2H3
InChIKeyZEKRYCKJJUUJSR-UHFFFAOYSA-N
XLogP3.31
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980353
4-amino-2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenol
CID 54980602
[2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenyl]boronic acid
CID 62984689
1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985620
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 107878398
4-amino-2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]phenol
CID 62979115
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzenecarboximidamide
CID 62979001
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
2-[1-(2-fluorophenyl)ethyl-methylamino]-N'-hydroxyethanimidamide
CID 76979744
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80656756
3-bromo-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980354
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol?
The IUPAC name of 4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol (CID 62978067) is 4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol.
What is the SMILES notation for 4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol?
The canonical SMILES for 4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol is CC(c1ccccc1F)N(C)Cc1cc(N)ccc1O.
What is the InChIKey of 4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol?
The InChIKey is ZEKRYCKJJUUJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11(14-5-3-4-6-15(14)17)19(2)10-12-9-13(18)7-8-16(12)20/h3-9,11,20H,10,18H2,1-2H3.
What are the key properties of 4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol?
4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol has a molecular weight of 274.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol is sourced from PubChem (CID 62978067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).