3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine

C16H25NO — CID 66357148

IUPAC3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2ccc(C)cc2C(C)(C)C)C1
InChIInChI=1S/C16H25NO/c1-11-6-7-15(14(8-11)16(2,3)4)18-13-9-12(10-13)17-5/h6-8,12-13,17H,9-10H2,1-5H3
InChIKeyBJZAGEXTYRCMBG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.42
Rot. Bonds3

About 3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine

3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine (PubChem CID 66357148) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine
PubChem CID66357148
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine
SMILESCNC1CC(Oc2ccc(C)cc2C(C)(C)C)C1
InChIInChI=1S/C16H25NO/c1-11-6-7-15(14(8-11)16(2,3)4)18-13-9-12(10-13)17-5/h6-8,12-13,17H,9-10H2,1-5H3
InChIKeyBJZAGEXTYRCMBG-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine (CID 66357148) is 3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine is CNC1CC(Oc2ccc(C)cc2C(C)(C)C)C1.
What is the InChIKey of 3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine?
The InChIKey is BJZAGEXTYRCMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-6-7-15(14(8-11)16(2,3)4)18-13-9-12(10-13)17-5/h6-8,12-13,17H,9-10H2,1-5H3.
What are the key properties of 3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine?
3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-4-methylphenoxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 66357148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).