5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol

C12H16FNO2 — CID 117323547

IUPAC5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(C2(C(C)N)CC2)cc1F
InChIInChI=1S/C12H16FNO2/c1-7(14)12(3-4-12)8-5-9(13)11(16-2)10(15)6-8/h5-7,15H,3-4,14H2,1-2H3
InChIKeyFLVTVINYXGCXBR-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.92
Rot. Bonds3

About 5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol

5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol (PubChem CID 117323547) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol
PubChem CID117323547
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(C2(C(C)N)CC2)cc1F
InChIInChI=1S/C12H16FNO2/c1-7(14)12(3-4-12)8-5-9(13)11(16-2)10(15)6-8/h5-7,15H,3-4,14H2,1-2H3
InChIKeyFLVTVINYXGCXBR-UHFFFAOYSA-N
XLogP1.92
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117301518
4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol
CID 117323546
3-[1-(1-aminoethyl)cyclopropyl]-4-chloro-5-fluoro-2-methoxyphenol
CID 117403514
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine
CID 117386300
5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343267
1-[1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]cyclopropyl]ethanamine
CID 117355040
1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382009
1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117386287
5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol
CID 117293797
5-[1-(1-aminoethyl)cyclopropyl]-2-(hydroxymethyl)phenol
CID 117296045
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol?
The IUPAC name of 5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol (CID 117323547) is 5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol.
What is the SMILES notation for 5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol?
The canonical SMILES for 5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol is COc1c(O)cc(C2(C(C)N)CC2)cc1F.
What is the InChIKey of 5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol?
The InChIKey is FLVTVINYXGCXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-7(14)12(3-4-12)8-5-9(13)11(16-2)10(15)6-8/h5-7,15H,3-4,14H2,1-2H3.
What are the key properties of 5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol?
5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol has a molecular weight of 225.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol is sourced from PubChem (CID 117323547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).