[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine

C15H21F2N — CID 65017273

IUPAC[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine
SMILESCC(C)(C)C1CC(CN)(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H21F2N/c1-14(2,3)11-7-15(8-11,9-18)10-4-12(16)6-13(17)5-10/h4-6,11H,7-9,18H2,1-3H3
InChIKeyVESNBFFHSQLMOP-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.62
Rot. Bonds2

About [3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine

[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine (PubChem CID 65017273) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is [3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine
PubChem CID65017273
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine
SMILESCC(C)(C)C1CC(CN)(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H21F2N/c1-14(2,3)11-7-15(8-11,9-18)10-4-12(16)6-13(17)5-10/h4-6,11H,7-9,18H2,1-3H3
InChIKeyVESNBFFHSQLMOP-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine?
The IUPAC name of [3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine (CID 65017273) is [3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine.
What is the SMILES notation for [3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine?
The canonical SMILES for [3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine is CC(C)(C)C1CC(CN)(c2cc(F)cc(F)c2)C1.
What is the InChIKey of [3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine?
The InChIKey is VESNBFFHSQLMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-14(2,3)11-7-15(8-11,9-18)10-4-12(16)6-13(17)5-10/h4-6,11H,7-9,18H2,1-3H3.
What are the key properties of [3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine?
[3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-1-(3,5-difluorophenyl)cyclobutyl]methanamine is sourced from PubChem (CID 65017273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).