4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol

C11H13F2NO — CID 117303739

IUPAC4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol
SMILESCC(N)C1(c2ccc(O)c(F)c2F)CC1
InChIInChI=1S/C11H13F2NO/c1-6(14)11(4-5-11)7-2-3-8(15)10(13)9(7)12/h2-3,6,15H,4-5,14H2,1H3
InChIKeyQQHOHPZXBYIAOE-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.05
Rot. Bonds2

About 4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol

4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol (PubChem CID 117303739) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol.

Molecular Properties

Compound Name4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol
PubChem CID117303739
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol
SMILESCC(N)C1(c2ccc(O)c(F)c2F)CC1
InChIInChI=1S/C11H13F2NO/c1-6(14)11(4-5-11)7-2-3-8(15)10(13)9(7)12/h2-3,6,15H,4-5,14H2,1H3
InChIKeyQQHOHPZXBYIAOE-UHFFFAOYSA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorobenzoic acid
CID 117354606
1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117301571
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
2-[1-(1-aminoethyl)cyclopropyl]-5-(trifluoromethyl)phenol
CID 117364496
1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117465009
5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol
CID 117298840
1-[1-(4-fluoro-2-methylphenyl)cyclopropyl]ethanamine
CID 117283964
5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117301518
2-[1-(1-aminoethyl)cyclopropyl]-5-methoxyphenol
CID 117296056
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol
CID 117331542
1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine
CID 117301565
2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol
CID 117293806

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol?
The IUPAC name of 4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol (CID 117303739) is 4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol.
What is the SMILES notation for 4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol?
The canonical SMILES for 4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol is CC(N)C1(c2ccc(O)c(F)c2F)CC1.
What is the InChIKey of 4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol?
The InChIKey is QQHOHPZXBYIAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-6(14)11(4-5-11)7-2-3-8(15)10(13)9(7)12/h2-3,6,15H,4-5,14H2,1H3.
What are the key properties of 4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol?
4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol has a molecular weight of 213.23 g/mol, XLogP of 2.05, 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]-2,3-difluorophenol is sourced from PubChem (CID 117303739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).