1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol

C17H20FNO2 — CID 61417600

IUPAC1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol
SMILESCOc1ccc(CN(C)c2ccc(C(C)O)cc2F)cc1
InChIInChI=1S/C17H20FNO2/c1-12(20)14-6-9-17(16(18)10-14)19(2)11-13-4-7-15(21-3)8-5-13/h4-10,12,20H,11H2,1-3H3
InChIKeyVGYCEMZHEORVRR-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.52
Rot. Bonds5

About 1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol

1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol (PubChem CID 61417600) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol
PubChem CID61417600
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol
SMILESCOc1ccc(CN(C)c2ccc(C(C)O)cc2F)cc1
InChIInChI=1S/C17H20FNO2/c1-12(20)14-6-9-17(16(18)10-14)19(2)11-13-4-7-15(21-3)8-5-13/h4-10,12,20H,11H2,1-3H3
InChIKeyVGYCEMZHEORVRR-UHFFFAOYSA-N
XLogP3.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 61412978
(1R)-1-[4-[(4-bromophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 63370984
(1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol
CID 63371058
1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 43506175
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 115582214
1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 62909049
(1R)-1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 63371054
(1S)-1-[3-fluoro-4-[methyl(3-methylbutyl)amino]phenyl]ethanol
CID 55184298
4-[(1S)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 78934897
4-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 63369395
4-(1-aminoethyl)-2-bromo-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 62909906

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol (CID 61417600) is 1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol is COc1ccc(CN(C)c2ccc(C(C)O)cc2F)cc1.
What is the InChIKey of 1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol?
The InChIKey is VGYCEMZHEORVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(20)14-6-9-17(16(18)10-14)19(2)11-13-4-7-15(21-3)8-5-13/h4-10,12,20H,11H2,1-3H3.
What are the key properties of 1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol?
1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol has a molecular weight of 289.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol is sourced from PubChem (CID 61417600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).