2-(4-tert-butylphenyl)oxan-3-amine

C15H23NO — CID 79365048

IUPAC2-(4-tert-butylphenyl)oxan-3-amine
SMILESCC(C)(C)c1ccc(C2OCCCC2N)cc1
InChIInChI=1S/C15H23NO/c1-15(2,3)12-8-6-11(7-9-12)14-13(16)5-4-10-17-14/h6-9,13-14H,4-5,10,16H2,1-3H3
InChIKeyPTDVLNIPMABELN-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.16
Rot. Bonds1

About 2-(4-tert-butylphenyl)oxan-3-amine

2-(4-tert-butylphenyl)oxan-3-amine (PubChem CID 79365048) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)oxan-3-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)oxan-3-amine
PubChem CID79365048
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-(4-tert-butylphenyl)oxan-3-amine
SMILESCC(C)(C)c1ccc(C2OCCCC2N)cc1
InChIInChI=1S/C15H23NO/c1-15(2,3)12-8-6-11(7-9-12)14-13(16)5-4-10-17-14/h6-9,13-14H,4-5,10,16H2,1-3H3
InChIKeyPTDVLNIPMABELN-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)oxan-3-amine?
The IUPAC name of 2-(4-tert-butylphenyl)oxan-3-amine (CID 79365048) is 2-(4-tert-butylphenyl)oxan-3-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)oxan-3-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)oxan-3-amine is CC(C)(C)c1ccc(C2OCCCC2N)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)oxan-3-amine?
The InChIKey is PTDVLNIPMABELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,3)12-8-6-11(7-9-12)14-13(16)5-4-10-17-14/h6-9,13-14H,4-5,10,16H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)oxan-3-amine?
2-(4-tert-butylphenyl)oxan-3-amine has a molecular weight of 233.36 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)oxan-3-amine is sourced from PubChem (CID 79365048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).