(1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol

C17H20FNO2 — CID 63371058

IUPAC(1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol
SMILESCOc1ccccc1CN(C)c1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C17H20FNO2/c1-12(20)13-8-9-16(15(18)10-13)19(2)11-14-6-4-5-7-17(14)21-3/h4-10,12,20H,11H2,1-3H3/t12-/m1/s1
InChIKeyRHOBPRBSJYTFSX-GFCCVEGCSA-N
MW289.35 g/mol
LogP3.52
Rot. Bonds5

About (1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol

(1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol (PubChem CID 63371058) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol
PubChem CID63371058
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name(1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol
SMILESCOc1ccccc1CN(C)c1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C17H20FNO2/c1-12(20)13-8-9-16(15(18)10-13)19(2)11-14-6-4-5-7-17(14)21-3/h4-10,12,20H,11H2,1-3H3/t12-/m1/s1
InChIKeyRHOBPRBSJYTFSX-GFCCVEGCSA-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-[4-[(2-bromophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 61416049
(1S)-1-[3-fluoro-4-(2-methoxy-N-methylanilino)phenyl]ethanol
CID 78940821
1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol
CID 61417600
1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 61412978
(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 43506175
(1R)-1-[4-[(4-bromophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 63370984
(1S)-1-[3-fluoro-4-[methyl(3-methylbutyl)amino]phenyl]ethanol
CID 55184298
(1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol
CID 79009341
(1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol
CID 78939586
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 61411745

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol (CID 63371058) is (1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol is COc1ccccc1CN(C)c1ccc([C@@H](C)O)cc1F.
What is the InChIKey of (1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol?
The InChIKey is RHOBPRBSJYTFSX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(20)13-8-9-16(15(18)10-13)19(2)11-14-6-4-5-7-17(14)21-3/h4-10,12,20H,11H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol?
(1R)-1-[3-fluoro-4-[(2-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 (1R)-1-[3-fluoro-4-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanol is sourced from PubChem (CID 63371058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).