5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol

C11H14FNO2 — CID 117301518

IUPAC5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
SMILESCC(N)C1(c2cc(O)c(O)c(F)c2)CC1
InChIInChI=1S/C11H14FNO2/c1-6(13)11(2-3-11)7-4-8(12)10(15)9(14)5-7/h4-6,14-15H,2-3,13H2,1H3
InChIKeyGQHXEPZABQCBLM-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.62
Rot. Bonds2

About 5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol

5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol (PubChem CID 117301518) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol.

Molecular Properties

Compound Name5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
PubChem CID117301518
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
SMILESCC(N)C1(c2cc(O)c(O)c(F)c2)CC1
InChIInChI=1S/C11H14FNO2/c1-6(13)11(2-3-11)7-4-8(12)10(15)9(14)5-7/h4-6,14-15H,2-3,13H2,1H3
InChIKeyGQHXEPZABQCBLM-UHFFFAOYSA-N
XLogP1.62
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol
CID 117323546
5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol
CID 117323547
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol
CID 117293797
1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine
CID 117319411
5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol
CID 117296045
1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine
CID 117359794
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-fluoro-N,N-dimethylaniline
CID 117118391
5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol
CID 117298840
1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine
CID 131471469

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol?
The IUPAC name of 5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol (CID 117301518) is 5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol.
What is the SMILES notation for 5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol?
The canonical SMILES for 5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol is CC(N)C1(c2cc(O)c(O)c(F)c2)CC1.
What is the InChIKey of 5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol?
The InChIKey is GQHXEPZABQCBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-6(13)11(2-3-11)7-4-8(12)10(15)9(14)5-7/h4-6,14-15H,2-3,13H2,1H3.
What are the key properties of 5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol?
5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol has a molecular weight of 211.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol is sourced from PubChem (CID 117301518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).