3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine

C15H22FN — CID 156864694

IUPAC3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine
SMILESCNC1CC(c2ccc(F)c(C(C)(C)C)c2)C1
InChIInChI=1S/C15H22FN/c1-15(2,3)13-9-10(5-6-14(13)16)11-7-12(8-11)17-4/h5-6,9,11-12,17H,7-8H2,1-4H3
InChIKeyCWZNFHHPRKJXJX-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.59
Rot. Bonds2

About 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine

3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine (PubChem CID 156864694) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine
PubChem CID156864694
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine
SMILESCNC1CC(c2ccc(F)c(C(C)(C)C)c2)C1
InChIInChI=1S/C15H22FN/c1-15(2,3)13-9-10(5-6-14(13)16)11-7-12(8-11)17-4/h5-6,9,11-12,17H,7-8H2,1-4H3
InChIKeyCWZNFHHPRKJXJX-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine (CID 156864694) is 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine is CNC1CC(c2ccc(F)c(C(C)(C)C)c2)C1.
What is the InChIKey of 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine?
The InChIKey is CWZNFHHPRKJXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-15(2,3)13-9-10(5-6-14(13)16)11-7-12(8-11)17-4/h5-6,9,11-12,17H,7-8H2,1-4H3.
What are the key properties of 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine?
3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 156864694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).