1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol

C12H15ClFNO2 — CID 117403462

IUPAC1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(F)cc(Cl)c1OC1CC1
InChIInChI=1S/C12H15ClFNO2/c1-15-6-11(16)9-4-7(14)5-10(13)12(9)17-8-2-3-8/h4-5,8,11,15-16H,2-3,6H2,1H3
InChIKeyQSFGNGXJTKEMKI-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.27
Rot. Bonds5

About 1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol

1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol (PubChem CID 117403462) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
PubChem CID117403462
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(F)cc(Cl)c1OC1CC1
InChIInChI=1S/C12H15ClFNO2/c1-15-6-11(16)9-4-7(14)5-10(13)12(9)17-8-2-3-8/h4-5,8,11,15-16H,2-3,6H2,1H3
InChIKeyQSFGNGXJTKEMKI-UHFFFAOYSA-N
XLogP2.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
CID 117489126
2-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-hydroxyacetic acid
CID 117405942
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]-2-(methylamino)ethanol
CID 117375331
2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol
CID 117468296
1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol
CID 117382385
1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol
CID 117460897
1-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-2-(methylamino)ethanol
CID 117444120
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid
CID 117436914
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785782
1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
CID 84683301
1-(3-chloro-2-fluoro-5-methylphenyl)-2-(methylamino)ethanol
CID 84683309

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol (CID 117403462) is 1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(F)cc(Cl)c1OC1CC1.
What is the InChIKey of 1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol?
The InChIKey is QSFGNGXJTKEMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-15-6-11(16)9-4-7(14)5-10(13)12(9)17-8-2-3-8/h4-5,8,11,15-16H,2-3,6H2,1H3.
What are the key properties of 1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol?
1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol has a molecular weight of 259.71 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 117403462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).