6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol

C11H13F2NO2 — CID 84792634

IUPAC6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
SMILESCOc1c(F)cc(C2(CN)CC2)c(O)c1F
InChIInChI=1S/C11H13F2NO2/c1-16-10-7(12)4-6(9(15)8(10)13)11(5-14)2-3-11/h4,15H,2-3,5,14H2,1H3
InChIKeyGTVNVNAELDYCRI-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.67
Rot. Bonds3

About 6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol

6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol (PubChem CID 84792634) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol.

Molecular Properties

Compound Name6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
PubChem CID84792634
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
SMILESCOc1c(F)cc(C2(CN)CC2)c(O)c1F
InChIInChI=1S/C11H13F2NO2/c1-16-10-7(12)4-6(9(15)8(10)13)11(5-14)2-3-11/h4,15H,2-3,5,14H2,1H3
InChIKeyGTVNVNAELDYCRI-UHFFFAOYSA-N
XLogP1.67
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol
CID 84785078
[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 84794179
5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol
CID 117350816
[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459551
1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile
CID 84789933
[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
CID 117372344
[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320250
6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
CID 117285305
[1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 117437550
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
CID 117327619
4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol
CID 84801297

Frequently Asked Questions

What is the IUPAC name of 6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol?
The IUPAC name of 6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol (CID 84792634) is 6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol.
What is the SMILES notation for 6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol?
The canonical SMILES for 6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol is COc1c(F)cc(C2(CN)CC2)c(O)c1F.
What is the InChIKey of 6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol?
The InChIKey is GTVNVNAELDYCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-16-10-7(12)4-6(9(15)8(10)13)11(5-14)2-3-11/h4,15H,2-3,5,14H2,1H3.
What are the key properties of 6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol?
6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol has a molecular weight of 229.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol is sourced from PubChem (CID 84792634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).