3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine

C18H28FN — CID 43731257

IUPAC3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine
SMILESCC(C)(C)CC(C)(C)NC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H28FN/c1-17(2,3)12-18(4,5)20-16-10-14(11-16)13-6-8-15(19)9-7-13/h6-9,14,16,20H,10-12H2,1-5H3
InChIKeyNSRHPJDRCHFZIF-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.88
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine

3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine (PubChem CID 43731257) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine
PubChem CID43731257
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine
SMILESCC(C)(C)CC(C)(C)NC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H28FN/c1-17(2,3)12-18(4,5)20-16-10-14(11-16)13-6-8-15(19)9-7-13/h6-9,14,16,20H,10-12H2,1-5H3
InChIKeyNSRHPJDRCHFZIF-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine (CID 43731257) is 3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine is CC(C)(C)CC(C)(C)NC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine?
The InChIKey is NSRHPJDRCHFZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-17(2,3)12-18(4,5)20-16-10-14(11-16)13-6-8-15(19)9-7-13/h6-9,14,16,20H,10-12H2,1-5H3.
What are the key properties of 3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine?
3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2,4,4-trimethylpentan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 43731257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).