4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol

C11H14FNO2 — CID 84781666

IUPAC4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol
SMILESCOc1c(C2(N)CC2)cc(C)c(O)c1F
InChIInChI=1S/C11H14FNO2/c1-6-5-7(11(13)3-4-11)10(15-2)8(12)9(6)14/h5,14H,3-4,13H2,1-2H3
InChIKeyNEPXLWFEVUNMOS-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.80
Rot. Bonds2

About 4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol

4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol (PubChem CID 84781666) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol
PubChem CID84781666
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol
SMILESCOc1c(C2(N)CC2)cc(C)c(O)c1F
InChIInChI=1S/C11H14FNO2/c1-6-5-7(11(13)3-4-11)10(15-2)8(12)9(6)14/h5,14H,3-4,13H2,1-2H3
InChIKeyNEPXLWFEVUNMOS-UHFFFAOYSA-N
XLogP1.80
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol
CID 117296160
4-(1-aminocyclopropyl)-2-chloro-3-methoxy-6-methylphenol
CID 84791831
3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117386077
1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84788006
1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 84792591
1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine
CID 84811248
1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117486628
6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol
CID 117296164
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84802916
3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol
CID 117286770
1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclohexan-1-amine
CID 117441374
6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol
CID 117283660

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol?
The IUPAC name of 4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol (CID 84781666) is 4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol.
What is the SMILES notation for 4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol?
The canonical SMILES for 4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol is COc1c(C2(N)CC2)cc(C)c(O)c1F.
What is the InChIKey of 4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol?
The InChIKey is NEPXLWFEVUNMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-6-5-7(11(13)3-4-11)10(15-2)8(12)9(6)14/h5,14H,3-4,13H2,1-2H3.
What are the key properties of 4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol?
4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol has a molecular weight of 211.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol is sourced from PubChem (CID 84781666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).