2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol

C11H13ClFNO — CID 117331543

IUPAC2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol
SMILESCC(N)C1(c2c(F)ccc(Cl)c2O)CC1
InChIInChI=1S/C11H13ClFNO/c1-6(14)11(4-5-11)9-8(13)3-2-7(12)10(9)15/h2-3,6,15H,4-5,14H2,1H3
InChIKeyZEQIEDABEPUXFD-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.56
Rot. Bonds2

About 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol

2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol (PubChem CID 117331543) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol.

Molecular Properties

Compound Name2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol
PubChem CID117331543
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol
SMILESCC(N)C1(c2c(F)ccc(Cl)c2O)CC1
InChIInChI=1S/C11H13ClFNO/c1-6(14)11(4-5-11)9-8(13)3-2-7(12)10(9)15/h2-3,6,15H,4-5,14H2,1H3
InChIKeyZEQIEDABEPUXFD-UHFFFAOYSA-N
XLogP2.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117327906
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol
CID 117331542
1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
1-[1-(2-bromo-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432880
6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
CID 117356185
3-[1-(1-aminoethyl)cyclopropyl]-4-chloro-5-fluoro-2-methoxyphenol
CID 117403514
1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine
CID 117440298
1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine
CID 117319414
1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine
CID 117346753
5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117301518
1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine
CID 117356652
4-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-1,3-benzodioxol-5-ol
CID 117350352

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol?
The IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol (CID 117331543) is 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol.
What is the SMILES notation for 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol?
The canonical SMILES for 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol is CC(N)C1(c2c(F)ccc(Cl)c2O)CC1.
What is the InChIKey of 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol?
The InChIKey is ZEQIEDABEPUXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-6(14)11(4-5-11)9-8(13)3-2-7(12)10(9)15/h2-3,6,15H,4-5,14H2,1H3.
What are the key properties of 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol?
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol has a molecular weight of 229.68 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol is sourced from PubChem (CID 117331543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).