2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol

C17H20FNO2 — CID 71862509

IUPAC2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol
SMILESCc1cc(C)cc(CNc2ccc(F)cc2OCCO)c1
InChIInChI=1S/C17H20FNO2/c1-12-7-13(2)9-14(8-12)11-19-16-4-3-15(18)10-17(16)21-6-5-20/h3-4,7-10,19-20H,5-6,11H2,1-2H3
InChIKeyRZIZGNZHVBRCJL-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.43
Rot. Bonds6

About 2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol

2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol (PubChem CID 71862509) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol
PubChem CID71862509
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol
SMILESCc1cc(C)cc(CNc2ccc(F)cc2OCCO)c1
InChIInChI=1S/C17H20FNO2/c1-12-7-13(2)9-14(8-12)11-19-16-4-3-15(18)10-17(16)21-6-5-20/h3-4,7-10,19-20H,5-6,11H2,1-2H3
InChIKeyRZIZGNZHVBRCJL-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174413387
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CID 110006660
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N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 47784339
2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
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4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol
CID 43730019
2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol
CID 63047094
4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline
CID 55026237
N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
CID 103852096
2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868511
2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 43730030
N-[(3,5-dimethylphenyl)methyl]-2,3-difluoroaniline
CID 54978785

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol?
The IUPAC name of 2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol (CID 71862509) is 2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol.
What is the SMILES notation for 2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol?
The canonical SMILES for 2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol is Cc1cc(C)cc(CNc2ccc(F)cc2OCCO)c1.
What is the InChIKey of 2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol?
The InChIKey is RZIZGNZHVBRCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12-7-13(2)9-14(8-12)11-19-16-4-3-15(18)10-17(16)21-6-5-20/h3-4,7-10,19-20H,5-6,11H2,1-2H3.
What are the key properties of 2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol?
2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol has a molecular weight of 289.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol is sourced from PubChem (CID 71862509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).