1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine

C13H17F2NO — CID 117355108

IUPAC1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine
SMILESCOc1c(C(F)F)cc(C)cc1C1(N)CCC1
InChIInChI=1S/C13H17F2NO/c1-8-6-9(12(14)15)11(17-2)10(7-8)13(16)4-3-5-13/h6-7,12H,3-5,16H2,1-2H3
InChIKeyQORGAYXPMDCHQR-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.28
Rot. Bonds3

About 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine

1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine (PubChem CID 117355108) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine
PubChem CID117355108
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine
SMILESCOc1c(C(F)F)cc(C)cc1C1(N)CCC1
InChIInChI=1S/C13H17F2NO/c1-8-6-9(12(14)15)11(17-2)10(7-8)13(16)4-3-5-13/h6-7,12H,3-5,16H2,1-2H3
InChIKeyQORGAYXPMDCHQR-UHFFFAOYSA-N
XLogP3.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine
CID 117391359
1-(difluoromethyl)-3-(1-isocyanatocyclopropyl)-2-methoxy-5-methylbenzene
CID 117385272
1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine
CID 117323744
1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine
CID 84681000
1-(5-chloro-2-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117324614
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine
CID 117391231
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117403471
1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine
CID 117346828
2-amino-1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]propan-1-ol
CID 84705086
2-(1-aminocyclobutyl)-6-fluoro-4-methylphenol
CID 117285395
1-(5-bromo-2-methoxy-3-propan-2-ylphenyl)cyclopropan-1-amine
CID 84812947
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine?
The IUPAC name of 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine (CID 117355108) is 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine is COc1c(C(F)F)cc(C)cc1C1(N)CCC1.
What is the InChIKey of 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine?
The InChIKey is QORGAYXPMDCHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-8-6-9(12(14)15)11(17-2)10(7-8)13(16)4-3-5-13/h6-7,12H,3-5,16H2,1-2H3.
What are the key properties of 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine?
1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine has a molecular weight of 241.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine is sourced from PubChem (CID 117355108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).