3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine

C18H27NO — CID 66358515

IUPAC3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine
SMILESCC(C)(C)c1ccc(OC2CC(N)C23CCCC3)cc1
InChIInChI=1S/C18H27NO/c1-17(2,3)13-6-8-14(9-7-13)20-16-12-15(19)18(16)10-4-5-11-18/h6-9,15-16H,4-5,10-12,19H2,1-3H3
InChIKeyADBLTARTUMVRDB-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.02
Rot. Bonds2

About 3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine

3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine (PubChem CID 66358515) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine
PubChem CID66358515
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine
SMILESCC(C)(C)c1ccc(OC2CC(N)C23CCCC3)cc1
InChIInChI=1S/C18H27NO/c1-17(2,3)13-6-8-14(9-7-13)20-16-12-15(19)18(16)10-4-5-11-18/h6-9,15-16H,4-5,10-12,19H2,1-3H3
InChIKeyADBLTARTUMVRDB-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine?
The IUPAC name of 3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine (CID 66358515) is 3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine is CC(C)(C)c1ccc(OC2CC(N)C23CCCC3)cc1.
What is the InChIKey of 3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine?
The InChIKey is ADBLTARTUMVRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-17(2,3)13-6-8-14(9-7-13)20-16-12-15(19)18(16)10-4-5-11-18/h6-9,15-16H,4-5,10-12,19H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine?
3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 66358515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).