1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol

C12H15F2NO — CID 82115239

IUPAC1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)(c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C12H15F2NO/c1-15-7-12(16,8-2-3-8)9-4-5-10(13)11(14)6-9/h4-6,8,15-16H,2-3,7H2,1H3
InChIKeyPAWFAIWBEWQIDO-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.78
Rot. Bonds4

About 1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol

1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol (PubChem CID 82115239) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol
PubChem CID82115239
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)(c1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C12H15F2NO/c1-15-7-12(16,8-2-3-8)9-4-5-10(13)11(14)6-9/h4-6,8,15-16H,2-3,7H2,1H3
InChIKeyPAWFAIWBEWQIDO-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol (CID 82115239) is 1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol is CNCC(O)(c1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol?
The InChIKey is PAWFAIWBEWQIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-15-7-12(16,8-2-3-8)9-4-5-10(13)11(14)6-9/h4-6,8,15-16H,2-3,7H2,1H3.
What are the key properties of 1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol?
1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol has a molecular weight of 227.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(3,4-difluorophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 82115239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).