3-tert-butyl-1-(3,5-difluorophenyl)cyclobutan-1-amine

C14H19F2N — CID 65014517

IUPAC3-tert-butyl-1-(3,5-difluorophenyl)cyclobutan-1-amine
SMILESCC(C)(C)C1CC(N)(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H19F2N/c1-13(2,3)10-7-14(17,8-10)9-4-11(15)6-12(16)5-9/h4-6,10H,7-8,17H2,1-3H3
InChIKeyJDFPIBSWFKLDME-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.57
Rot. Bonds1

About 3-tert-butyl-1-(3,5-difluorophenyl)cyclobutan-1-amine

3-tert-butyl-1-(3,5-difluorophenyl)cyclobutan-1-amine (PubChem CID 65014517) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-tert-butyl-1-(3,5-difluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-tert-butyl-1-(3,5-difluorophenyl)cyclobutan-1-amine
PubChem CID65014517
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-tert-butyl-1-(3,5-difluorophenyl)cyclobutan-1-amine
SMILESCC(C)(C)C1CC(N)(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H19F2N/c1-13(2,3)10-7-14(17,8-10)9-4-11(15)6-12(16)5-9/h4-6,10H,7-8,17H2,1-3H3
InChIKeyJDFPIBSWFKLDME-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Pentorex
CID 22031
1-(4-Fluorophenyl)cyclohexan-1-amine
CID 24274287
1-(3-Fluorophenyl)cyclohexan-1-amine hydrochloride
CID 45259864
3-Phenylpentan-3-amine hydrochloride
CID 45036910
Cumylamine
CID 68509
1-(3-Fluorophenyl)cyclohexylamine
CID 3035993
1-(4-Fluorophenyl)cyclohexan-1-amine hydrochloride
CID 45259868
1-Phenylcyclobutylamine
CID 152214
1-(4-Fluorophenyl)cyclopropylamine
CID 12983147
3-Phenylpentan-3-amine
CID 3829053
US10285989, Example 12
CID 118196136
1-(2-Fluorophenyl)cyclohexan-1-amine hydrochloride
CID 398430

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(3,5-difluorophenyl)cyclobutan-1-amine?
The IUPAC name of 3-tert-butyl-1-(3,5-difluorophenyl)cyclobutan-1-amine (CID 65014517) is 3-tert-butyl-1-(3,5-difluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for 3-tert-butyl-1-(3,5-difluorophenyl)cyclobutan-1-amine?
The canonical SMILES for 3-tert-butyl-1-(3,5-difluorophenyl)cyclobutan-1-amine is CC(C)(C)C1CC(N)(c2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-tert-butyl-1-(3,5-difluorophenyl)cyclobutan-1-amine?
The InChIKey is JDFPIBSWFKLDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-13(2,3)10-7-14(17,8-10)9-4-11(15)6-12(16)5-9/h4-6,10H,7-8,17H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(3,5-difluorophenyl)cyclobutan-1-amine?
3-tert-butyl-1-(3,5-difluorophenyl)cyclobutan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 3.57, 1 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)cyclobutan-1-amine is sourced from PubChem (CID 65014517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).