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

C15H23NO — CID 134412785

IUPACN-(2-methyl-3-propan-2-ylphenyl)oxan-4-amine
SMILESCc1c(NC2CCOCC2)cccc1C(C)C
InChIInChI=1S/C15H23NO/c1-11(2)14-5-4-6-15(12(14)3)16-13-7-9-17-10-8-13/h4-6,11,13,16H,7-10H2,1-3H3
InChIKeyJXXBOFUTQSFLJU-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.71
Rot. Bonds3

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

N-(2-methyl-3-propan-2-ylphenyl)oxan-4-amine (PubChem CID 134412785) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(2-methyl-3-propan-2-ylphenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-methyl-3-propan-2-ylphenyl)oxan-4-amine
PubChem CID134412785
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-(2-methyl-3-propan-2-ylphenyl)oxan-4-amine
SMILESCc1c(NC2CCOCC2)cccc1C(C)C
InChIInChI=1S/C15H23NO/c1-11(2)14-5-4-6-15(12(14)3)16-13-7-9-17-10-8-13/h4-6,11,13,16H,7-10H2,1-3H3
InChIKeyJXXBOFUTQSFLJU-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-propan-2-ylphenyl)oxan-4-amine?
The IUPAC name of N-(2-methyl-3-propan-2-ylphenyl)oxan-4-amine (CID 134412785) is N-(2-methyl-3-propan-2-ylphenyl)oxan-4-amine.
What is the SMILES notation for N-(2-methyl-3-propan-2-ylphenyl)oxan-4-amine?
The canonical SMILES for N-(2-methyl-3-propan-2-ylphenyl)oxan-4-amine is Cc1c(NC2CCOCC2)cccc1C(C)C.
What is the InChIKey of N-(2-methyl-3-propan-2-ylphenyl)oxan-4-amine?
The InChIKey is JXXBOFUTQSFLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)14-5-4-6-15(12(14)3)16-13-7-9-17-10-8-13/h4-6,11,13,16H,7-10H2,1-3H3.
What are the key properties of N-(2-methyl-3-propan-2-ylphenyl)oxan-4-amine?
N-(2-methyl-3-propan-2-ylphenyl)oxan-4-amine has a molecular weight of 233.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-propan-2-ylphenyl)oxan-4-amine is sourced from PubChem (CID 134412785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).