2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol

C10H11ClFNO2 — CID 117335343

IUPAC2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)c(Cl)c(C2(N)CC2)c1O
InChIInChI=1S/C10H11ClFNO2/c1-15-6-4-5(12)8(11)7(9(6)14)10(13)2-3-10/h4,14H,2-3,13H2,1H3
InChIKeyAFCLWQZXTPPEOF-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.14
Rot. Bonds2

About 2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol

2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol (PubChem CID 117335343) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol
PubChem CID117335343
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)c(Cl)c(C2(N)CC2)c1O
InChIInChI=1S/C10H11ClFNO2/c1-15-6-4-5(12)8(11)7(9(6)14)10(13)2-3-10/h4,14H,2-3,13H2,1H3
InChIKeyAFCLWQZXTPPEOF-UHFFFAOYSA-N
XLogP2.14
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclopropyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117335344
2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol
CID 117464477
2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol
CID 117427699
2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol
CID 117392420
2-(1-aminocyclopropyl)-6-methoxy-3,4-dimethylphenol
CID 117296163
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784320
1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine
CID 84783126
2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117313606
2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol
CID 117329978
2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid
CID 117314957
1-(2,3,6-trifluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117333727
2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol
CID 84779621

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol?
The IUPAC name of 2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol (CID 117335343) is 2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol.
What is the SMILES notation for 2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol?
The canonical SMILES for 2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol is COc1cc(F)c(Cl)c(C2(N)CC2)c1O.
What is the InChIKey of 2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol?
The InChIKey is AFCLWQZXTPPEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-15-6-4-5(12)8(11)7(9(6)14)10(13)2-3-10/h4,14H,2-3,13H2,1H3.
What are the key properties of 2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol?
2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol has a molecular weight of 231.65 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol is sourced from PubChem (CID 117335343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).