3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine

C15H20F3N — CID 103902696

IUPAC3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NC(C)CC(F)(F)F)C1
InChIInChI=1S/C15H20F3N/c1-10-5-3-4-6-14(10)12-7-13(8-12)19-11(2)9-15(16,17)18/h3-6,11-13,19H,7-9H2,1-2H3
InChIKeyKPNOQFDVYDVMGD-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.17
Rot. Bonds4

About 3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine

3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine (PubChem CID 103902696) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
PubChem CID103902696
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NC(C)CC(F)(F)F)C1
InChIInChI=1S/C15H20F3N/c1-10-5-3-4-6-14(10)12-7-13(8-12)19-11(2)9-15(16,17)18/h3-6,11-13,19H,7-9H2,1-2H3
InChIKeyKPNOQFDVYDVMGD-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine (CID 103902696) is 3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine is Cc1ccccc1C1CC(NC(C)CC(F)(F)F)C1.
What is the InChIKey of 3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The InChIKey is KPNOQFDVYDVMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-10-5-3-4-6-14(10)12-7-13(8-12)19-11(2)9-15(16,17)18/h3-6,11-13,19H,7-9H2,1-2H3.
What are the key properties of 3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 103902696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).