2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine

C11H13F2N — CID 82827536

IUPAC2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(F)c(C2CCC2N)c1F
InChIInChI=1S/C11H13F2N/c1-6-2-4-8(12)10(11(6)13)7-3-5-9(7)14/h2,4,7,9H,3,5,14H2,1H3
InChIKeyQQWXRVNDVRJEAP-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.48
Rot. Bonds1

About 2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine

2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine (PubChem CID 82827536) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine
PubChem CID82827536
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(F)c(C2CCC2N)c1F
InChIInChI=1S/C11H13F2N/c1-6-2-4-8(12)10(11(6)13)7-3-5-9(7)14/h2,4,7,9H,3,5,14H2,1H3
InChIKeyQQWXRVNDVRJEAP-UHFFFAOYSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,6-difluorophenyl)cyclobutan-1-amine
CID 81014368
1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine
CID 82828592
[2-(2,6-difluoro-3-methylphenyl)-4-propylcyclohexyl]methanamine
CID 82828508
N-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine
CID 82827778
4-(2,6-difluoro-3-methylphenyl)cyclohexan-1-one
CID 83261660
3-(2,6-difluorophenyl)-2-methylcyclopentan-1-amine
CID 64910050
2-(2,6-difluoro-3-methylphenyl)cycloheptane-1-carboxylic acid
CID 82828421
N-[[2-(2,6-difluoro-3-methylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 82805177
3-(2,6-difluoro-3-methylphenyl)cyclopentan-1-ol
CID 82822176
(4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55275271
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine?
The IUPAC name of 2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine (CID 82827536) is 2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for 2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine is Cc1ccc(F)c(C2CCC2N)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine?
The InChIKey is QQWXRVNDVRJEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-6-2-4-8(12)10(11(6)13)7-3-5-9(7)14/h2,4,7,9H,3,5,14H2,1H3.
What are the key properties of 2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine?
2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine has a molecular weight of 197.23 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 82827536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).