2-(4-propan-2-ylphenyl)oxan-3-amine

C14H21NO — CID 79365963

IUPAC2-(4-propan-2-ylphenyl)oxan-3-amine
SMILESCC(C)c1ccc(C2OCCCC2N)cc1
InChIInChI=1S/C14H21NO/c1-10(2)11-5-7-12(8-6-11)14-13(15)4-3-9-16-14/h5-8,10,13-14H,3-4,9,15H2,1-2H3
InChIKeyQXPOSEJHBNQVMZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.99
Rot. Bonds2

About 2-(4-propan-2-ylphenyl)oxan-3-amine

2-(4-propan-2-ylphenyl)oxan-3-amine (PubChem CID 79365963) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)oxan-3-amine.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)oxan-3-amine
PubChem CID79365963
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(4-propan-2-ylphenyl)oxan-3-amine
SMILESCC(C)c1ccc(C2OCCCC2N)cc1
InChIInChI=1S/C14H21NO/c1-10(2)11-5-7-12(8-6-11)14-13(15)4-3-9-16-14/h5-8,10,13-14H,3-4,9,15H2,1-2H3
InChIKeyQXPOSEJHBNQVMZ-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)oxan-3-amine?
The IUPAC name of 2-(4-propan-2-ylphenyl)oxan-3-amine (CID 79365963) is 2-(4-propan-2-ylphenyl)oxan-3-amine.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)oxan-3-amine?
The canonical SMILES for 2-(4-propan-2-ylphenyl)oxan-3-amine is CC(C)c1ccc(C2OCCCC2N)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)oxan-3-amine?
The InChIKey is QXPOSEJHBNQVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)11-5-7-12(8-6-11)14-13(15)4-3-9-16-14/h5-8,10,13-14H,3-4,9,15H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)oxan-3-amine?
2-(4-propan-2-ylphenyl)oxan-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)oxan-3-amine is sourced from PubChem (CID 79365963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).