5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol

C11H14FNO — CID 117285265

IUPAC5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol
SMILESCc1cc(F)c(CC2(N)CC2)cc1O
InChIInChI=1S/C11H14FNO/c1-7-4-9(12)8(5-10(7)14)6-11(13)2-3-11/h4-5,14H,2-3,6,13H2,1H3
InChIKeyXZBGDSTWZRTIPU-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.87
Rot. Bonds2

About 5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol

5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol (PubChem CID 117285265) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol.

Molecular Properties

Compound Name5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol
PubChem CID117285265
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol
SMILESCc1cc(F)c(CC2(N)CC2)cc1O
InChIInChI=1S/C11H14FNO/c1-7-4-9(12)8(5-10(7)14)6-11(13)2-3-11/h4-5,14H,2-3,6,13H2,1H3
InChIKeyXZBGDSTWZRTIPU-UHFFFAOYSA-N
XLogP1.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol?
The IUPAC name of 5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol (CID 117285265) is 5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol.
What is the SMILES notation for 5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol?
The canonical SMILES for 5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol is Cc1cc(F)c(CC2(N)CC2)cc1O.
What is the InChIKey of 5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol?
The InChIKey is XZBGDSTWZRTIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7-4-9(12)8(5-10(7)14)6-11(13)2-3-11/h4-5,14H,2-3,6,13H2,1H3.
What are the key properties of 5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol?
5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol has a molecular weight of 195.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol is sourced from PubChem (CID 117285265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).