4-(2,4,6-trimethylphenyl)oxan-4-amine

C14H21NO — CID 82285946

IUPAC4-(2,4,6-trimethylphenyl)oxan-4-amine
SMILESCc1cc(C)c(C2(N)CCOCC2)c(C)c1
InChIInChI=1S/C14H21NO/c1-10-8-11(2)13(12(3)9-10)14(15)4-6-16-7-5-14/h8-9H,4-7,15H2,1-3H3
InChIKeyUXWWTERBTUXWKA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.58
Rot. Bonds1

About 4-(2,4,6-trimethylphenyl)oxan-4-amine

4-(2,4,6-trimethylphenyl)oxan-4-amine (PubChem CID 82285946) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(2,4,6-trimethylphenyl)oxan-4-amine.

Molecular Properties

Compound Name4-(2,4,6-trimethylphenyl)oxan-4-amine
PubChem CID82285946
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(2,4,6-trimethylphenyl)oxan-4-amine
SMILESCc1cc(C)c(C2(N)CCOCC2)c(C)c1
InChIInChI=1S/C14H21NO/c1-10-8-11(2)13(12(3)9-10)14(15)4-6-16-7-5-14/h8-9H,4-7,15H2,1-3H3
InChIKeyUXWWTERBTUXWKA-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethylphenyl)oxan-4-amine?
The IUPAC name of 4-(2,4,6-trimethylphenyl)oxan-4-amine (CID 82285946) is 4-(2,4,6-trimethylphenyl)oxan-4-amine.
What is the SMILES notation for 4-(2,4,6-trimethylphenyl)oxan-4-amine?
The canonical SMILES for 4-(2,4,6-trimethylphenyl)oxan-4-amine is Cc1cc(C)c(C2(N)CCOCC2)c(C)c1.
What is the InChIKey of 4-(2,4,6-trimethylphenyl)oxan-4-amine?
The InChIKey is UXWWTERBTUXWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-8-11(2)13(12(3)9-10)14(15)4-6-16-7-5-14/h8-9H,4-7,15H2,1-3H3.
What are the key properties of 4-(2,4,6-trimethylphenyl)oxan-4-amine?
4-(2,4,6-trimethylphenyl)oxan-4-amine has a molecular weight of 219.33 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethylphenyl)oxan-4-amine is sourced from PubChem (CID 82285946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).