4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol

C11H14FNO — CID 117285258

IUPAC4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
SMILESCC(N)C1(c2ccc(O)c(F)c2)CC1
InChIInChI=1S/C11H14FNO/c1-7(13)11(4-5-11)8-2-3-10(14)9(12)6-8/h2-3,6-7,14H,4-5,13H2,1H3
InChIKeyOHFBJNTYPNCECS-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.91
Rot. Bonds2

About 4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol

4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol (PubChem CID 117285258) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
PubChem CID117285258
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
SMILESCC(N)C1(c2ccc(O)c(F)c2)CC1
InChIInChI=1S/C11H14FNO/c1-7(13)11(4-5-11)8-2-3-10(14)9(12)6-8/h2-3,6-7,14H,4-5,13H2,1H3
InChIKeyOHFBJNTYPNCECS-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117301518
1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
1-[1-(3-fluoro-4-iodophenyl)cyclopropyl]ethanamine
CID 117046693
5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol
CID 117296045
1-[1-(4-cyclopropyl-3-fluorophenyl)cyclopropyl]ethanamine
CID 117312921
5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-N,N-dimethylaniline
CID 117118391
1-[1-(3-fluoro-4-pentan-3-ylphenyl)cyclopropyl]ethanamine
CID 117377665
5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol
CID 117323547
4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol
CID 117303739
4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol
CID 117323546
1-[1-(4-methyl-3-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 117317155
1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine
CID 117459786

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol?
The IUPAC name of 4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol (CID 117285258) is 4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol.
What is the SMILES notation for 4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol?
The canonical SMILES for 4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol is CC(N)C1(c2ccc(O)c(F)c2)CC1.
What is the InChIKey of 4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol?
The InChIKey is OHFBJNTYPNCECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7(13)11(4-5-11)8-2-3-10(14)9(12)6-8/h2-3,6-7,14H,4-5,13H2,1H3.
What are the key properties of 4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol?
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol has a molecular weight of 195.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol is sourced from PubChem (CID 117285258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).