2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol

C9H10F3NO — CID 117293115

IUPAC2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol
SMILESCNCC(O)c1c(F)ccc(F)c1F
InChIInChI=1S/C9H10F3NO/c1-13-4-7(14)8-5(10)2-3-6(11)9(8)12/h2-3,7,13-14H,4H2,1H3
InChIKeyKVHPOZREMUITIP-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.36
Rot. Bonds3

About 2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol

2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol (PubChem CID 117293115) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol
PubChem CID117293115
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol
SMILESCNCC(O)c1c(F)ccc(F)c1F
InChIInChI=1S/C9H10F3NO/c1-13-4-7(14)8-5(10)2-3-6(11)9(8)12/h2-3,7,13-14H,4H2,1H3
InChIKeyKVHPOZREMUITIP-UHFFFAOYSA-N
XLogP1.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-6-fluoro-3-methylphenyl)-2-(methylamino)ethanol
CID 84710705
1-(3-chloro-6-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785778
4-chloro-3-fluoro-2-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84685212
4-bromo-2-fluoro-3-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 84807282
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanol
CID 117364300
1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol
CID 117326258
2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol
CID 61074855
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol
CID 117335550
1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol
CID 117317266
1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 83700875
1-(2,6-difluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62811525

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol?
The IUPAC name of 2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol (CID 117293115) is 2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol.
What is the SMILES notation for 2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol?
The canonical SMILES for 2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol is CNCC(O)c1c(F)ccc(F)c1F.
What is the InChIKey of 2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol?
The InChIKey is KVHPOZREMUITIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-13-4-7(14)8-5(10)2-3-6(11)9(8)12/h2-3,7,13-14H,4H2,1H3.
What are the key properties of 2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol?
2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol has a molecular weight of 205.18 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(2,3,6-trifluorophenyl)ethanol is sourced from PubChem (CID 117293115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).