4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol

C11H14FNO2 — CID 117301384

IUPAC4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol
SMILESCOc1cc(CC2(N)CC2)cc(F)c1O
InChIInChI=1S/C11H14FNO2/c1-15-9-5-7(4-8(12)10(9)14)6-11(13)2-3-11/h4-5,14H,2-3,6,13H2,1H3
InChIKeyQTXZFRZKDSEFDX-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.57
Rot. Bonds3

About 4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol

4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol (PubChem CID 117301384) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol
PubChem CID117301384
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol
SMILESCOc1cc(CC2(N)CC2)cc(F)c1O
InChIInChI=1S/C11H14FNO2/c1-15-9-5-7(4-8(12)10(9)14)6-11(13)2-3-11/h4-5,14H,2-3,6,13H2,1H3
InChIKeyQTXZFRZKDSEFDX-UHFFFAOYSA-N
XLogP1.57
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117347282
2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol
CID 117329978
1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437506
4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol
CID 117323546
4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride
CID 170889186
1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117315797
1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine
CID 117310192
1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
CID 117286906
5-[(1-aminocyclopropyl)methyl]-2,3-dimethoxybenzaldehyde
CID 117342405
2-fluoro-4-(isocyanatomethyl)-6-methoxyphenol
CID 117286578
3-methoxy-5-[2-(3,4,5-trifluorophenyl)ethyl]benzene-1,2-diol
CID 67960854
2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol
CID 105499062

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol?
The IUPAC name of 4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol (CID 117301384) is 4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol.
What is the SMILES notation for 4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol?
The canonical SMILES for 4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol is COc1cc(CC2(N)CC2)cc(F)c1O.
What is the InChIKey of 4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol?
The InChIKey is QTXZFRZKDSEFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-15-9-5-7(4-8(12)10(9)14)6-11(13)2-3-11/h4-5,14H,2-3,6,13H2,1H3.
What are the key properties of 4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol?
4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol has a molecular weight of 211.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol is sourced from PubChem (CID 117301384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).