1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine

C12H16FNO — CID 84780719

IUPAC1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
SMILESCOc1c(C)cc(F)c(C)c1C1(N)CC1
InChIInChI=1S/C12H16FNO/c1-7-6-9(13)8(2)10(11(7)15-3)12(14)4-5-12/h6H,4-5,14H2,1-3H3
InChIKeyKNILKQSNRRGTEU-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.40
Rot. Bonds2

About 1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine

1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine (PubChem CID 84780719) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
PubChem CID84780719
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
SMILESCOc1c(C)cc(F)c(C)c1C1(N)CC1
InChIInChI=1S/C12H16FNO/c1-7-6-9(13)8(2)10(11(7)15-3)12(14)4-5-12/h6H,4-5,14H2,1-3H3
InChIKeyKNILKQSNRRGTEU-UHFFFAOYSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84790711
1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine
CID 117386100
1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclopropan-1-amine
CID 117316555
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
1-(2,6-dimethoxy-3-methylphenyl)cyclopropan-1-amine
CID 84779676
1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine
CID 84783126
1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
CID 117112931
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84790596
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine
CID 84801185
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025
3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol
CID 117432726
1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84788006

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine (CID 84780719) is 1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine is COc1c(C)cc(F)c(C)c1C1(N)CC1.
What is the InChIKey of 1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine?
The InChIKey is KNILKQSNRRGTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-7-6-9(13)8(2)10(11(7)15-3)12(14)4-5-12/h6H,4-5,14H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine?
1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine has a molecular weight of 209.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84780719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).