3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine

C17H27NO — CID 107669420

IUPAC3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine
SMILESCCC(C)c1ccc(OC2CC(NC)C2(C)C)cc1
InChIInChI=1S/C17H27NO/c1-6-12(2)13-7-9-14(10-8-13)19-16-11-15(18-5)17(16,3)4/h7-10,12,15-16,18H,6,11H2,1-5H3
InChIKeyKLVUSCMOOIDSOD-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.97
Rot. Bonds5

About 3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine

3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine (PubChem CID 107669420) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine
PubChem CID107669420
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine
SMILESCCC(C)c1ccc(OC2CC(NC)C2(C)C)cc1
InChIInChI=1S/C17H27NO/c1-6-12(2)13-7-9-14(10-8-13)19-16-11-15(18-5)17(16,3)4/h7-10,12,15-16,18H,6,11H2,1-5H3
InChIKeyKLVUSCMOOIDSOD-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine?
The IUPAC name of 3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine (CID 107669420) is 3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine?
The canonical SMILES for 3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine is CCC(C)c1ccc(OC2CC(NC)C2(C)C)cc1.
What is the InChIKey of 3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine?
The InChIKey is KLVUSCMOOIDSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-12(2)13-7-9-14(10-8-13)19-16-11-15(18-5)17(16,3)4/h7-10,12,15-16,18H,6,11H2,1-5H3.
What are the key properties of 3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine?
3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine is sourced from PubChem (CID 107669420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).