(1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol

C17H20FNO — CID 63371123

IUPAC(1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol
SMILESCc1ccccc1CN(C)c1cccc(F)c1[C@@H](C)O
InChIInChI=1S/C17H20FNO/c1-12-7-4-5-8-14(12)11-19(3)16-10-6-9-15(18)17(16)13(2)20/h4-10,13,20H,11H2,1-3H3/t13-/m1/s1
InChIKeyUUHQEOUPOFCQGN-CYBMUJFWSA-N
MW273.35 g/mol
LogP3.82
Rot. Bonds4

About (1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol

(1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol (PubChem CID 63371123) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol
PubChem CID63371123
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol
SMILESCc1ccccc1CN(C)c1cccc(F)c1[C@@H](C)O
InChIInChI=1S/C17H20FNO/c1-12-7-4-5-8-14(12)11-19(3)16-10-6-9-15(18)17(16)13(2)20/h4-10,13,20H,11H2,1-3H3/t13-/m1/s1
InChIKeyUUHQEOUPOFCQGN-CYBMUJFWSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-fluoro-6-[2-hydroxyethyl(methyl)amino]phenyl]ethanol
CID 63371010
1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol
CID 43527064
2-[(N,2-dimethylanilino)methyl]-6-fluorophenol
CID 112616193
1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
CID 55226767
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol
CID 61416210
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
(1R)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 78940926
(1S)-1-[2-fluoro-6-(2-fluoro-N-methylanilino)phenyl]ethanol
CID 55184318
1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 43563565
2-(1-aminoethyl)-N-[(2-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 61416480
(1R)-1-[2-fluoro-6-[methyl(propan-2-yl)amino]phenyl]ethanol
CID 63371539
3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]propanenitrile
CID 43506029

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol (CID 63371123) is (1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol is Cc1ccccc1CN(C)c1cccc(F)c1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol?
The InChIKey is UUHQEOUPOFCQGN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-7-4-5-8-14(12)11-19(3)16-10-6-9-15(18)17(16)13(2)20/h4-10,13,20H,11H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol?
(1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol has a molecular weight of 273.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-6-[methyl-[(2-methylphenyl)methyl]amino]phenyl]ethanol is sourced from PubChem (CID 63371123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).