4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol

C12H16FNO2 — CID 105482966

IUPAC4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol
SMILESCc1cc(CCC2(N)CC2)c(O)c(F)c1O
InChIInChI=1S/C12H16FNO2/c1-7-6-8(2-3-12(14)4-5-12)11(16)9(13)10(7)15/h6,15-16H,2-5,14H2,1H3
InChIKeyRHYFHYJMLNLWKD-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.97
Rot. Bonds3

About 4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol

4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol (PubChem CID 105482966) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol
PubChem CID105482966
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol
SMILESCc1cc(CCC2(N)CC2)c(O)c(F)c1O
InChIInChI=1S/C12H16FNO2/c1-7-6-8(2-3-12(14)4-5-12)11(16)9(13)10(7)15/h6,15-16H,2-5,14H2,1H3
InChIKeyRHYFHYJMLNLWKD-UHFFFAOYSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol
CID 105463029
1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460909
1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine
CID 105464943
5-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-2-methylphenol
CID 105463039
1-[2-(5-fluoro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460910
1-[2-(4-chloro-2,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481535
2-[2-(1-aminocyclopropyl)ethyl]-5-fluorophenol
CID 105448984
1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480784
2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol
CID 105499062
2-fluoro-4-methyl-6-(methylaminomethyl)benzene-1,3-diol
CID 84769618
5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol
CID 105463041
1-[2-(3,5-difluoro-2,6-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105483076

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol?
The IUPAC name of 4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol (CID 105482966) is 4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol.
What is the SMILES notation for 4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol?
The canonical SMILES for 4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol is Cc1cc(CCC2(N)CC2)c(O)c(F)c1O.
What is the InChIKey of 4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol?
The InChIKey is RHYFHYJMLNLWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-7-6-8(2-3-12(14)4-5-12)11(16)9(13)10(7)15/h6,15-16H,2-5,14H2,1H3.
What are the key properties of 4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol?
4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol has a molecular weight of 225.26 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol is sourced from PubChem (CID 105482966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).