2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol

C11H13F2NO2 — CID 117329978

IUPAC2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol
SMILESCOc1cc(F)c(F)c(CC2(N)CC2)c1O
InChIInChI=1S/C11H13F2NO2/c1-16-8-4-7(12)9(13)6(10(8)15)5-11(14)2-3-11/h4,15H,2-3,5,14H2,1H3
InChIKeyVLYQWDXGOSHGLD-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.71
Rot. Bonds3

About 2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol

2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol (PubChem CID 117329978) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol.

Molecular Properties

Compound Name2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol
PubChem CID117329978
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol
SMILESCOc1cc(F)c(F)c(CC2(N)CC2)c1O
InChIInChI=1S/C11H13F2NO2/c1-16-8-4-7(12)9(13)6(10(8)15)5-11(14)2-3-11/h4,15H,2-3,5,14H2,1H3
InChIKeyVLYQWDXGOSHGLD-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol
CID 117301384
2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol
CID 117339512
1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117303787
4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol
CID 117296210
1-[(6-bromo-2-fluoro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117489103
1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117346889
1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117333685
1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117331427
2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117335343
3-[(1-aminocyclopropyl)methyl]-2-chloro-4,5-dimethoxyphenol
CID 117397604
(2,3,6-trifluoro-5-methoxyphenyl)methanamine
CID 117282112
2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117313606

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol?
The IUPAC name of 2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol (CID 117329978) is 2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol.
What is the SMILES notation for 2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol?
The canonical SMILES for 2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol is COc1cc(F)c(F)c(CC2(N)CC2)c1O.
What is the InChIKey of 2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol?
The InChIKey is VLYQWDXGOSHGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-16-8-4-7(12)9(13)6(10(8)15)5-11(14)2-3-11/h4,15H,2-3,5,14H2,1H3.
What are the key properties of 2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol?
2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol has a molecular weight of 229.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol is sourced from PubChem (CID 117329978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).