2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol

C11H13ClFNO — CID 117331542

IUPAC2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol
SMILESCC(N)C1(c2cc(F)cc(Cl)c2O)CC1
InChIInChI=1S/C11H13ClFNO/c1-6(14)11(2-3-11)8-4-7(13)5-9(12)10(8)15/h4-6,15H,2-3,14H2,1H3
InChIKeyFUZIDIWTONSMHB-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.56
Rot. Bonds2

About 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol

2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol (PubChem CID 117331542) 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-4-fluorophenol.

Molecular Properties

Compound Name2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol
PubChem CID117331542
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol
SMILESCC(N)C1(c2cc(F)cc(Cl)c2O)CC1
InChIInChI=1S/C11H13ClFNO/c1-6(14)11(2-3-11)8-4-7(13)5-9(12)10(8)15/h4-6,15H,2-3,14H2,1H3
InChIKeyFUZIDIWTONSMHB-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

2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol
CID 117331543
2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol
CID 117307321
6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol
CID 117352069
1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine
CID 117441728
6-[1-(1-aminoethyl)cyclopropyl]-4-chloro-2-methoxy-3-methylphenol
CID 117392662
2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol
CID 84802258
2-[1-(1-aminoethyl)cyclopropyl]-4-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117449103
6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
CID 117356185
1-[1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409102
1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382007
1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282
5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol
CID 117298840

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol?
The IUPAC name of 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol (CID 117331542) is 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol.
What is the SMILES notation for 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol?
The canonical SMILES for 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol is CC(N)C1(c2cc(F)cc(Cl)c2O)CC1.
What is the InChIKey of 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol?
The InChIKey is FUZIDIWTONSMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-6(14)11(2-3-11)8-4-7(13)5-9(12)10(8)15/h4-6,15H,2-3,14H2,1H3.
What are the key properties of 2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol?
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-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-4-fluorophenol is sourced from PubChem (CID 117331542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).