4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol

C12H16FNO2 — CID 117323546

IUPAC4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol
SMILESCOc1cc(C2(C(C)N)CC2)cc(F)c1O
InChIInChI=1S/C12H16FNO2/c1-7(14)12(3-4-12)8-5-9(13)11(15)10(6-8)16-2/h5-7,15H,3-4,14H2,1-2H3
InChIKeyBWOAENAYXSCZOC-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.92
Rot. Bonds3

About 4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol

4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol (PubChem CID 117323546) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol
PubChem CID117323546
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol
SMILESCOc1cc(C2(C(C)N)CC2)cc(F)c1O
InChIInChI=1S/C12H16FNO2/c1-7(14)12(3-4-12)8-5-9(13)11(15)10(6-8)16-2/h5-7,15H,3-4,14H2,1-2H3
InChIKeyBWOAENAYXSCZOC-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
5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol
CID 117323547
2-[1-(1-aminoethyl)cyclopropyl]-3-bromo-4-fluoro-6-methoxyphenol
CID 117489178
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117339161
4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol
CID 117301384
1-(3-fluoro-4-hydroxy-5-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117352802
1-[1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine
CID 117319411
1-[1-(3-fluoro-4-phenylmethoxyphenyl)cyclopropyl]ethanamine
CID 117459786
1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282
1-[1-[3-(difluoromethyl)-4-methoxyphenyl]cyclopropyl]ethanamine
CID 117355047
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol?
The IUPAC name of 4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol (CID 117323546) is 4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol.
What is the SMILES notation for 4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol?
The canonical SMILES for 4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol is COc1cc(C2(C(C)N)CC2)cc(F)c1O.
What is the InChIKey of 4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol?
The InChIKey is BWOAENAYXSCZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-7(14)12(3-4-12)8-5-9(13)11(15)10(6-8)16-2/h5-7,15H,3-4,14H2,1-2H3.
What are the key properties of 4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol?
4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-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 4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol is sourced from PubChem (CID 117323546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).